American Mineralogist Crystal Structure Database

185 matching records for this search.

Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Al, Na.98Na1.10Mg.90Mg4.88Al.12Si8O22F2
_database_code_amcsd 0002055
9.668 17.916 5.271 90 102.82 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2842 .0848 .2830      .57
Si(2)  .2922 .1706 .7872      .67
Mg(1)      0 .0887    .5      .69
Mg(2)      0 .1793     0 .94  .89
Al(2)      0 .1793     0 .06  .89
Mg(3)      0     0     0      .66
Na(4)      0 .2638    .5 .56 1.83
Mg(4)      0 .2638    .5 .44 1.83
NaA        0    .5     0 .29 3.11
NaA(m) .0464    .5 .1122 .35 2.67
O1     .1143 .0847 .2140      .78
O2     .1208 .1698 .7216      .86
F3     .1045     0 .7074      .79
O4     .3683 .2488 .7836     1.56
O5     .3505 .1277 .0674     1.80
O6     .3473 .1194 .5681     2.20
O7     .3454     0 .2837     1.19
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Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Sc, Na.92Na1.97Mg.03Mg3.95Sc1.05Si8O22F2
_database_code_amcsd 0002056
9.820 18.036 5.290 90 103.64 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2827 .0845 .2907      .36
Si(2)  .2883 .1695 .7953      .43
Mg(1)      0 .0884    .5      .51
Sc(2)      0 .1815     0 .53  .48
Mg(2)      0 .1815     0 .47  .48
Mg(3)      0     0     0      .51
Na(4)      0 .2760    .5 .97 2.01
Mg(4)      0 .2760    .5 .03 2.01
NaA        0    .5     0 .27 2.01
NaA(m) .0407    .5 .0937 .52 2.33
NaA(2)     0 .4749     0 .20 3.07
O1     .1141 .0846 .2160      .47
O2     .1194 .1659 .7265      .49
F3     .1012     0 .7097      .59
O4     .3600 .2483 .7968      .78
O5     .3490 .1274 .0783      .73
O6     .3445 .1180 .5789      .72
O7     .3427     0 .2907      .71
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Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Ti, Na.85Na1.02Mg.98Mg4.83Ti.17Si8O22F2
_database_code_amcsd 0002057
9.691 17.930 5.284 90 102.98 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2840 .0848 .2851      .60
Si(2)  .2916 .1707 .7907      .59
Mg(1)      0 .0887    .5      .59
Ti(2)      0 .1796     0 .09  .67
Mg(2)      0 .1796     0 .91  .67
Mg(3)      0     0     0      .50
Na(4)      0 .2655    .5 .45 1.96
Mg(4)      0 .2655    .5 .55 1.96
NaA        0    .5     0 .27 2.72
NaA(m) .0462    .5 .1034 .33 2.38
O1     .1137 .0849 .2136      .55
O2     .1199 .1692 .7230      .82
F3     .1037     0 .7080      .78
O4     .3678 .2489 .7848     1.70
O5     .3505 .1283 .0718     1.48
O6     .3467 .1183 .5720     1.76
O7     .3456     0 .2812     1.07
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Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: V, Na.90Na.92Mg1.08Mg4.98V.02Si8O22F2
_database_code_amcsd 0002058
9.655 17.909 5.267 90 102.73 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2844 .0848 .2816      .49
Si(2)  .2924 .1706 .7861      .55
Mg(1)      0 .0887    .5      .64
V(2)       0 .1792     0 .01  .79
Mg(2)      0 .1792     0 .99  .79
Mg(3)      0     0     0      .61
Mg(4)      0 .2631    .5 .57 1.67
Na(4)      0 .2631    .5 .43 1.67
NaA        0    .5     0 .25 2.83
NaA(m) .0441    .5 .1026 .35 2.54
O1     .1139 .0847 .2134      .53
O2     .1207 .1696 .7209      .72
F3     .1041     0 .7068      .73
O4     .3689 .2483 .7830     1.45
O5     .3502 .1279 .0671     1.68
O6     .3474 .1189 .5678     2.25
O7     .3456     0 .2829     1.00
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Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Cr1, Na1.00Na1.97Mg.03Mg4.03Cr.97Si8O22F2
_database_code_amcsd 0002059
9.722 17.813 5.282 90 103.69 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2834 .0859 .2939      .43
Si(2)  .2898 .1719 .8018      .46
Mg(1)      0 .0895    .5      .53
Cr(2)      0 .1782     0 .49  .45
Mg(2)      0 .1782     0 .51  .45
Mg(3)      0     0     0      .55
Mg(4)      0 .2743    .5 .05 1.23
Na(4)      0 .2743    .5 .95 1.23
NaA        0    .5     0 .27 1.91
NaA(m) .0442    .5 .0930 .27 2.13
NaA(2)     0 .4725     0 .10 2.74
O1     .1130 .0870 .2134      .62
O2     .1188 .1678 .7335      .58
F3     .1041     0 .7068      .80
O4     .3620 .2512 .7977      .82
O5     .3527 .1291 .0838      .74
O6     .3445 .1191 .5844      .73
O7     .3421     0 .2935      .78
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Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Cr2, Na1.00Na1.75Mg.25Mg4.25Cr.75Si8O22F2
_database_code_amcsd 0002060
9.728 17.825 5.278 90 103.66 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2835 .0857 .2924      .37
Si(2)  .2897 .1718 .7999      .37
Mg(1)      0 .0898    .5      .51
Cr(2)      0 .1785     0 .38  .34
Mg(2)      0 .1785     0 .62  .34
Mg(3)      0     0     0      .38
Mg(4)      0 .2740    .5 .05 1.35
Na(4)      0 .2740    .5 .95 1.35
NaA        0    .5     0 .27 1.99
NaA(m) .0402    .5 .0946 .09 2.38
NaA(2)     0 .4743     0 .08 2.22
Mg(4')     0 .2441    .5 .04  .41
O1     .1128 .0859 .2136      .52
O2     .1189 .1678 .7316      .50
F3     .1029     0 .7091      .62
O4     .3618 .2510 .7947      .85
O5     .3522 .1294 .0828      .69
O6     .3445 .1188 .5826      .75
O7     .3430     0 .2909      .71
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View JMOL 3-D Structure (permalink)
 
Fluoro-eckermannite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download am/vol84/AM84_102.pdf
American Mineralogist 84 (1999) 102-111
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
composition: Deviations from stoichiometry and structural effects of the
cummingtonite component
Sample: Ga, Na.94Na1.07Mg.93Mg4.87Ga.13Si8O22F2
_database_code_amcsd 0002061
9.666 17.902 5.272 90 102.84 90 C2/m
atom       x     y     z occ Biso
Si(1)  .2844 .0849 .2836      .44
Si(2)  .2921 .1707 .7878      .56
Mg(1)      0 .0889    .5      .72
Ga(2)      0 .1798     0 .07  .77
Mg(2)      0 .1798     0 .93  .77
Mg(3)      0     0     0      .63
Mg(4)      0 .2643    .5 .47 1.84
Na(4)      0 .2643    .5 .53 1.84
NaA        0    .5     0 .26 2.63
NaA(m) .0444    .5 .1015 .35 2.78
O1     .1139 .0850 .2134      .47
O2     .1204 .1695 .7231      .79
F3     .1037     0 .7071      .73
O4     .3683 .2485 .7846     1.38
O5     .3504 .1284 .0696     1.56
O6     .3468 .1187 .5708     2.09
O7     .3456     0 .2838     1.15
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Hellandite-(Ce)
 
Oberti R, Ottolini L, Camara F, Della Ventura G
Download am/vol84/AM84_913.pdf
American Mineralogist 84 (1999) 913-921
Crystal structure of non-metamict Th-rich hellandite-(Ce) from Latium (Italy)
and crystal chemistry of the hellandite-group minerals
_database_code_amcsd 0002237
19.068 4.745 10.289 90 111.18 90 P2/a
atom     x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
B1   .1735  .5271 .4518           .0004  .0049  .0013  .0001  .0003  .0000
B2   .2528  .4618 .1334           .0003  .0044  .0011  .0004  .0003  .0002
Si1  .1040  .4838 .6503           .0003  .0037  .0011  .0001  .0001 -.0001
Si2  .1130  .4980 .1622           .0003  .0065  .0012 -.0001  .0002  .0004
Al1      0      0     0 .83       .0005  .0071  .0020  .0000  .0003 -.0004
Fe1      0      0     0 .65       .0005  .0071  .0020  .0000  .0003 -.0004
Ti1      0      0     0 .41       .0005  .0071  .0020  .0000  .0003 -.0004
Mg1      0      0     0 .11       .0005  .0071  .0020  .0000  .0003 -.0004
Ca2  .0430  .0171 .3609 .70       .0005  .0066  .0017 -.0002  .0003 -.0003
Th2  .0430  .0171 .3609 .06       .0005  .0066  .0017 -.0002  .0003 -.0003
U2   .0430  .0171 .3609 .01       .0005  .0066  .0017 -.0002  .0003 -.0003
Y2   .0430  .0171 .3609 .02       .0005  .0066  .0017 -.0002  .0003 -.0003
La2  .0430  .0171 .3609 .05       .0005  .0066  .0017 -.0002  .0003 -.0003
Ce2  .0430  .0171 .3609 .11       .0005  .0066  .0017 -.0002  .0003 -.0003
Pr2  .0430  .0171 .3609 .01       .0005  .0066  .0017 -.0002  .0003 -.0003
Nd2  .0430  .0171 .3609 .04       .0005  .0066  .0017 -.0002  .0003 -.0003
Ca3  .2476  .0028 .6610 .70       .0007  .0061  .0016  .0000  .0004 -.0002
Th3  .2476  .0028 .6610 .06       .0007  .0061  .0016  .0000  .0004 -.0002
U3   .2476  .0028 .6610 .01       .0007  .0061  .0016  .0000  .0004 -.0002
Y3   .2476  .0028 .6610 .02       .0007  .0061  .0016  .0000  .0004 -.0002
La3  .2476  .0028 .6610 .05       .0007  .0061  .0016  .0000  .0004 -.0002
Ce3  .2476  .0028 .6610 .11       .0007  .0061  .0016  .0000  .0004 -.0002
Pr3  .2476  .0028 .6610 .01       .0007  .0061  .0016  .0000  .0004 -.0002
Nd3  .2476  .0028 .6610 .04       .0007  .0061  .0016  .0000  .0004 -.0002
Ca4  .1567 -.0333 .9312 .70       .0005  .0093  .0022  .0002  .0005  .0004
Th4  .1567 -.0333 .9312 .06       .0005  .0093  .0022  .0002  .0005  .0004
U4   .1567 -.0333 .9312 .01       .0005  .0093  .0022  .0002  .0005  .0004
Y4   .1567 -.0333 .9312 .02       .0005  .0093  .0022  .0002  .0005  .0004
La4  .1567 -.0333 .9312 .05       .0005  .0093  .0022  .0002  .0005  .0004
Ce4  .1567 -.0333 .9312 .11       .0005  .0093  .0022  .0002  .0005  .0004
Pr4  .1567 -.0333 .9312 .01       .0005  .0093  .0022  .0002  .0005  .0004
Nd4  .1567 -.0333 .9312 .04       .0005  .0093  .0022  .0002  .0005  .0004
Be   .0373  .5444 .8659 .37       .0010  .0091  .0031 -.0014  .0010 -.0004
Li   .0373  .5444 .8659 .12       .0010  .0091  .0031 -.0014  .0010 -.0004
H    .0434  .3712 .8889 .25 1.00
O1   .0440  .2445 .5675           .0004  .0075  .0017 -.0007  .0002 -.0006
O2   .1787  .3176 .7582           .0003  .0058  .0018  .0001  .0000 -.0002
O3   .0715 -.3033 .7365           .0006  .0131  .0037  .0008  .0004 -.0033
O4   .1330 -.3339 .5413           .0007  .0059  .0019 -.0001  .0006  .0003
O5   .0370  .1930 .8702 .75       .0007  .0100  .0028 -.0001  .0006 -.0001
F5   .0370  .1930 .8702 .25       .0007  .0100  .0028 -.0001  .0006 -.0001
O6   .2469 -.2427 .8585           .0005  .0045  .0018  .0001  .0003  .0003
O7   .1682  .2313 .4468           .0005  .0034  .0020 -.0003  .0003 -.0004
O8   .1334  .6717 .3092           .0007  .0074  .0016  .0005  .0001 -.0003
O9   .1863  .3251 .1583           .0005  .0076  .0027  .0002  .0006  .0013
O10  .0847  .7267 .0387           .0005  .0182  .0036  .0003  .0003  .0056
O11  .0515  .2578 .1568           .0008  .0206  .0020 -.0022  .0001  .0016
O12    .25  .3368     0           .0012  .0051  .0009      0  .0006      0
O13    .25  .6483    .5           .0003  .0037  .0028      0  .0002      0
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Kanemite
Download hom/kanemite.pdf
Garvie L A J, Devouard B, Groy T L, Camara F, Buseck P R
Download am/vol84/AM84_1170.pdf
American Mineralogist 84 (1999) 1170-1175
Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia
_database_code_amcsd 0002274
4.946 20.502 7.275 90 90 90 Pbcn
atom      x     y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si    .0497 .2925  .0391       .0010  .0018  .0011  .0000  .0001  .0002
Na       .5 .5115   -.25       .0034  .0029  .0025      0  .0000      0
O1        0 .3128    .25       .0033  .0042  .0014      0  .0004      0
O2    .0042 .3571 -.0790       .0031  .0023  .0014  .0003  .0000  .0003
O3   -.1438 .2326 -.0181       .0011  .0025  .0043 -.0008 -.0001 -.0001
O4    .4876 .5754  .0267       .0037  .0023  .0039 -.0002  .0001 -.0001
O5        0 .5411   -.25       .0029  .0060  .0111      0  .0003      0
H2A   .0193 .3795 -.1989 .036
H4A   .6450 .4020 -.0510 .065
H4B   .3640 .4060 -.0430 .085
H5A   .0067 .5071 -.3347 .170
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Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chum HV-41 n.2
_database_code_amcsd 0002337
4.7405 10.2377 13.6496 100.843 90 90 P2_1/b
atom      x      y      z occ Biso
Si1  .07329 .06623 .38930      .31
Si2  .07641 .17670 .83511      .31
Mg1A     .5      0     .5      .46
Mg1B .49743 .94627 .27421      .48
Mg25 .00928 .14038 .17026      .49
Mg26 .50876 .25023 .38825      .45
Mg3  .49277 .87792 .04299      .52
O11  .73294 .06451 .38811      .41
O12  .27787 .41947 .38776      .40
O13  .22308 .11240 .29312      .43
O14  .22238 .15881 .48636      .43
O21  .23624 .32276 .16287      .40
O22  .77897 .96885 .16257      .44
O23  .72430 .27994 .26273      .45
O24  .72808 .22680 .07021      .45
F5   .26152 .04630 .05566 .64  .68
O5   .26152 .04630 .05566 .36  .68
H      .067  -.021   .013 .33 4.51
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Clinohumite
Download hom/clinohumite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chum HV-41 n.3
_database_code_amcsd 0002338
4.7396 10.2328 13.6439 100.843 90 90 P2_1/b
atom      x      y      z occ Biso
Si1  .07341 .06624 .38934      .32
Si2  .07655 .17672 .83514      .31
Mg1A     .5      0     .5      .51
Mg1B .49760 .94628 .27423       .5
Mg25 .00935 .14043 .17024       .5
Mg26 .50894 .25023 .38823      .49
Mg3  .49291 .87778 .04305      .52
O11  .73319 .06451 .38810      .38
O12  .27818 .41946 .38781      .42
O13  .22349 .11244 .29321      .43
O14  .22232 .15885 .48631      .44
O21  .23585 .32291 .16289      .40
O22  .77862 .96886 .16249      .43
O23  .72435 .27998 .26271      .42
O24  .72776 .22658 .07007      .45
F5   .26193 .04644 .05568 .52  .67
O5   .26193 .04644 .05568 .48  .67
H      .084   .001   .021 .46 4.35
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Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chond HV-43 n.3
_database_code_amcsd 0002339
4.7230 10.2584 7.8504 109.076 90 90 P2_1/b
atom      x      y      z occ Biso
Si   .07656 .14403 .70374      .35
Mg1      .5      0     .5      .52
Mg2  .00943 .17358 .30654      .49
Mg3  .49214 .88645 .07927      .49
O1   .77761 .00156 .29407      .46
O2   .72731 .24074 .12567      .42
O3   .22439 .16824 .52798      .41
O4   .26401 .85487 .29478      .39
F5   .26227 .05742 .10053 .62  .68
O5   .26227 .05742 .10053 .38  .68
H      .143   .024   .021 .38 3.79
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Chondrodite
Download hom/chondrodite.pdf
Ottolini L, Camara F, Bigi S
Download am/vol85/AM85_89.pdf
American Mineralogist 85 (2000) 89-102
An investigation of matrix effects in the analysis of fluorine in humite-group
minerals by EMPA, SIMS, and SREF
Sample: Chond HV-43 n.4
_database_code_amcsd 0002340
4.7226 10.2564 7.8490 109.076 90 90 P2_1/b
atom      x      y      z occ Biso
Si   .07642 .14413 .70375      .37
Mg1      .5      0     .5      .51
Mg2  .00936 .17352 .30652       .5
Mg3  .49218 .88645 .07939       .5
O1   .77749 .00158 .29381      .48
O2   .72730 .24078 .12569      .45
O3   .22456 .16834 .52795      .45
O4   .26413 .85492 .29496      .42
F    .26252 .05756 .10064 .62  .73
O5   .26252 .05756 .10064 .38  .73
H      .100   .016   .023 .38  .41
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Fluoborite
Download hom/fluoborite.pdf
Camara F, Ottolini L
Download am/vol85/AM85_103.pdf
American Mineralogist 85 (2000) 103-107
New data on the crystal-chemistry of fluoborite
by means of SREF, SIMS and EMP analysis
Sample: Fbor 2V-43 n.2
_database_code_amcsd 0002341
8.8612 8.8612 3.1021 90 90 120 P6_3/m
atom      x      y   z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
B       2/3    1/3 .75      .00158 .00158 .00759 .00079      0      0
Mg   .36904 .03123 .25      .00247 .00211 .01244 .00122      0      0
H      .168   .113 .25 1.02
O    .55223 .15481 .75      .00201 .00152 .01510 .00070      0      0
F    .29653 .20836 .25      .00545 .00333 .01555 .00302      0      0
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Fluoborite
Download hom/fluoborite.pdf
Camara F, Ottolini L
Download am/vol85/AM85_103.pdf
American Mineralogist 85 (2000) 103-107
New data on the crystal-chemistry of fluoborite
by means of SREF, SIMS and EMP analysis
Sample: Fbor HV-43 n.3
_database_code_amcsd 0002342
8.8602 8.8602 3.1021 90 90 120 P6_3/m
atom      x      y   z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
B       2/3    1/3 .75      .00155 .00155 .00930 .00077      0      0
Mg   .36902 .03119 .25      .00241 .00211 .01245 .00122      0      0
H      .167   .111 .25 4.34
O    .55233 .15487 .75      .00205 .00161 .01477 .00069      0      0
F    .29646 .20828 .25      .00555 .00337 .01582 .00307      0      0
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien1 T = 1038 deg C
Locality: synthetic
_database_code_amcsd 0002799
9.773 8.962 5.271 90 108.99 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86851 .33792 .17346     .02453 .02270 .02279 .02392  .00603 .00185 -.00022
O1B  .37326 .84298 .13288     .02440 .01854 .03292 .02364  .00073 .00944  .00263
O2A  .12306 .49709 .33023     .03242 .03611 .02643 .03503 -.01207 .01199 -.01426
O2B  .62729 .98937 .37205     .04033 .03885 .03969 .04646 -.01300 .01940 -.00072
O3A  .10337 .26371 .58561     .03129 .01962 .03966 .03383 -.00139 .00765  .01987
O3B  .60188 .71307 .48527     .03133 .02920 .03944 .02786  .00495 .01272  .01246
SiA  .04316 .33983 .27886     .01932 .01836 .01747 .02239 -.00196 .00700  .00228
SiB  .54744 .84026 .24409     .02209 .01627 .02454 .02556 -.00322 .00695 -.00196
Mg1  .24987 .65144 .23118     .02581 .02716 .02629 .02310 -.00454 .00695  .00247
Mg2  .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479  .00308 .00362  .00580
Ca2  .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479  .00308 .00362  .00580
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien1 T = 25 deg C
Locality: synthetic
_database_code_amcsd 0002800
9.651 8.846 5.202 90 108.34 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86657 .33948 .17890     .00662 .00494 .00690 .00789  .00005 .00181  .00066
O1B  .37428 .83968 .12721     .00668 .00494 .00843 .00658  .00005 .00169  .00046
O2A  .12121 .50101 .32229     .00800 .00980 .00567 .00908 -.00218 .00377 -.00030
O2B  .63154 .98539 .38134     .01184 .01156 .00931 .01722 -.00530 .00822 -.00598
O3A  .10505 .27466 .60141     .01017 .00700 .01225 .01143  .00084 .00314  .00524
O3B  .60473 .70086 .46442     .01001 .00686 .01411 .00909  .00095 .00255  .00505
SiA  .04243 .34128 .28683     .00555 .00529 .00501 .00701 -.00049 .00286 -.00051
SiB  .55079 .83814 .23243     .00561 .00533 .00528 .00662 -.00079 .00245 -.00065
Mg1  .25088 .65386 .22278     .00694 .00693 .00705 .00690 -.00003 .00227  .00070
Mg2  .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911  .00380 .00257  .00467
Ca2  .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911  .00380 .00257  .00467
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 25 deg C
Locality: synthetic
_database_code_amcsd 0002801
9.651 8.846 5.202 90 108.38 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86654 .33948 .17873     .00580 .00462 .00691 .00576 -.00039 .00148  .00063
O1B  .37433 .83963 .12772     .00613 .00485 .00782 .00577  .00024 .00173 -.00011
O2A  .12099 .50111 .32199     .00696 .00807 .00544 .00744 -.00177 .00256  .00011
O2B  .63185 .98529 .38213     .01077 .01096 .00879 .01507 -.00394 .00770 -.00468
O3A  .10514 .27488 .60177     .00895 .00587 .01133 .00964  .00057 .00245  .00488
O3B  .60463 .70100 .46426     .00940 .00656 .01388 .00809  .00099 .00278  .00498
SiA  .04237 .34128 .28684     .00476 .00442 .00493 .00526 -.00039 .00200 -.00029
SiB  .55077 .83808 .23258     .00481 .00489 .00454 .00537 -.00092 .00216 -.00110
Mg1  .25087 .65381 .22287     .00589 .00619 .00638 .00485  .00042 .00140  .00081
Mg2  .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807  .00389 .00217  .00436
Ca2  .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807  .00389 .00217  .00436
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 500 deg C
Locality: synthetic
_database_code_amcsd 0002802
9.702 8.903 5.228 90 108.58 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86787 .33936 .17583     .01344 .01116 .01636 .01215  .00051 .00277  .00092
O1B  .37361 .84055 .12950     .01439 .01158 .01779 .01337  .00056 .00339 -.00113
O2A  .12166 .49977 .32593     .01669 .01970 .01221 .01864 -.00565 .00678 -.00106
O2B  .63063 .98561 .37802     .02159 .02271 .01862 .02613 -.00892 .01157 -.00709
O3A  .10420 .27096 .59479     .01976 .01449 .02546 .01936 -.00050 .00543  .00943
O3B  .60331 .70554 .47150     .01895 .01617 .02381 .01785  .00308 .00678  .00876
SiA  .04254 .34090 .28445     .01075 .01050 .01105 .01145 -.00124 .00454 -.00106
SiB  .54985 .83826 .23615     .01066 .01050 .01029 .01172 -.00119 .00429 -.00072
Mg1  .25060 .65285 .22641     .01490 .01596 .01404 .01463  .00035 .00480  .00053
Mg2  .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646  .00507 .00394  .00404
Ca2  .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646  .00507 .00394  .00404
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 650 deg C
Locality: synthetic
_database_code_amcsd 0002803
9.713 8.913 5.234 90 108.64 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86807 .33954 .17543     .01717 .01259 .02205 .01565 -.00213 .00282 -.00038
O1B  .37321 .84096 .13015     .01491 .01344 .01662 .01427  .00024 .00386 -.00023
O2A  .12149 .49930 .32662     .02036 .02458 .01618 .02138 -.00751 .00883 -.00333
O2B  .63021 .98629 .37674     .02326 .02393 .01912 .02850 -.00742 .01085 -.00684
O3A  .10371 .27021 .59168     .02110 .01794 .02438 .02033 -.00114 .00521  .00996
O3B  .60314 .70639 .47337     .01973 .01803 .02328 .01792  .00399 .00582  .00860
SiA  .04250 .34052 .28366     .01172 .01182 .01240 .01091 -.00126 .00359 -.00098
SiB  .54963 .83857 .23700     .01133 .01181 .01040 .01178 -.00170 .00377 -.00118
Mg1  .25025 .65276 .22705     .01589 .01807 .01629 .01330  .00098 .00501  .00100
Mg2  .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676  .00475 .00326  .00277
Ca2  .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676  .00475 .00326  .00277
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 800 deg C
Locality: synthetic
_database_code_amcsd 0002804
9.739 8.936 5.249 90 108.80 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86828 .33961 .17249     .01942 .01595 .02406 .01797  .00094 .00505  .00149
O1B  .37346 .84123 .13248     .01912 .01476 .02284 .01853  .00146 .00368 -.00057
O2A  .12164 .49858 .32875     .02349 .02631 .01887 .02612 -.00863 .00961 -.00341
O2B  .62975 .98637 .37552     .02678 .03137 .02224 .02992 -.00943 .01431 -.00841
O3A  .10313 .26764 .58800     .02651 .02048 .03486 .02415 -.00056 .00716  .01199
O3B  .60222 .70925 .47905     .02480 .02226 .03067 .02337  .00350 .00998  .01248
SiA  .04294 .34079 .28246     .01375 .01284 .01520 .01384 -.00107 .00518 -.00056
SiB  .54865 .83882 .23917     .01385 .01469 .01415 .01394 -.00138 .00632 -.00078
Mg1  .25051 .65217 .22924     .02020 .02213 .02058 .01778  .00014 .00625  .00025
Mg2  .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157  .00622 .00470  .00261
Ca2  .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157  .00622 .00470  .00261
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Clinoenstatite
Download hom/clinoenstatite.pdf
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
Download am/vol87/AM87_648.pdf
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 1000 deg C
Locality: synthetic
_database_code_amcsd 0002805
9.752 8.949 5.255 90 108.84 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86862 .33890 .17197     .02075 .01655 .02735 .01874  .00345 .00625  .00100
O1B  .37311 .84175 .13310     .02136 .01986 .02434 .02009  .00202 .00674  .00018
O2A  .12226 .49844 .33087     .02613 .02956 .01942 .03102 -.00833 .01199 -.00410
O2B  .62858 .98692 .37344     .03082 .03185 .02848 .03628 -.01373 .01675 -.00999
O3A  .10324 .26674 .58704     .02842 .02092 .03935 .02482  .00030 .00715  .01704
O3B  .60230 .71138 .48337     .02867 .02675 .03591 .02514  .00777 .01085  .01352
SiA  .04317 .34038 .28182     .01524 .01501 .01670 .01515 -.00186 .00645 -.00167
SiB  .54817 .83878 .24048     .01576 .01547 .01633 .01619 -.00176 .00609 -.00152
Mg1  .25048 .65186 .23090     .02196 .02398 .02230 .01975 -.00015 .00728  .00060
Mg2  .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357  .00768 .00606  .00239
Ca2  .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357  .00768 .00606  .00239
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Dravite
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Camara F, Ottolini L, Hawthorne F C
Download am/vol87/AM87_1437.pdf
American Mineralogist 87 (2000) 1437-1442
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS
Sample: Crystal 1
Locality: Madagascar
_database_code_amcsd 0002913
16.017 16.017 7.256 90 90 120 R3m
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX      0     0 .8489 .49        .017   .017   .019   .008      0      0
CaX      0     0 .8489 .48        .017   .017   .019   .008      0      0
KX       0     0 .8489 .01        .017   .017   .019   .008      0      0
MgY  .0616 .9384 .4367 .45        .007   .007   .011   .002   .002  -.002
Fe2Y .0616 .9384 .4367 .31        .007   .007   .011   .002   .002  -.002
Fe3Y .0616 .9384 .4367 .16        .007   .007   .011   .002   .002  -.002
TiY  .0616 .9384 .4367 .07        .007   .007   .011   .002   .002  -.002
AlZ  .2619 .2983 .4611 .76        .006   .006   .006   .003  -.001   .000
FeZ  .2619 .2983 .4611 .10        .006   .006   .006   .003  -.001   .000
MgZ  .2619 .2983 .4611 .14        .006   .006   .006   .003  -.001   .000
SiT  .1898 .1915 .0732            .005   .005   .006   .002   .001   .000
B    .8898 .1102 .6201            .006   .006   .009   .003   .001  -.001
O1       0     0 .2946 .64        .017   .017   .015   .009      0      0
OH1      0     0 .2946 .18        .017   .017   .015   .009      0      0
F1       0     0 .2946 .18        .017   .017   .015   .009      0      0
O2   .9393 .0607 .5955            .011   .011   .013   .008   .001  -.001
OH3  .1331 .8669 .5611            .014   .014   .007   .005  -.001   .001
O4   .9078 .0922 .0019            .008   .008   .011   .000  -.001   .001
O5   .0909 .9091 .9830            .008   .008   .010   .000  -.001   .001
O6   .1866 .1954 .2935            .009   .011   .007   .005   .001   .000
O7   .2837 .2842 .9933            .007   .008   .011   .001   .001   .002
O8   .2698 .2090 .6313            .010   .006   .017   .004  -.003  -.001
H3   .1329 .8671 .6780     .017
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Schorl
Download hom/schorl.pdf
Camara F, Ottolini L, Hawthorne F C
Download am/vol87/AM87_1437.pdf
American Mineralogist 87 (2000) 1437-1442
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS
Sample: Crystal 2
Locality: Alto Lighona pegmatite field, Zambezia, Mozambique
_database_code_amcsd 0002914
15.983 15.983 7.152 90 90 120 R3m
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX      0     0 .8186 .64        .024   .024   .024   .012      0      0
CaX      0     0 .8186 .03        .024   .024   .024   .012      0      0
KX       0     0 .8186 .01        .024   .024   .024   .012      0      0
Fe2Y .0617 .9383 .4102 .57        .007   .007   .012   .002   .002  -.002
AlY  .0617 .9383 .4102 .29        .007   .007   .012   .002   .002  -.002
TiY  .0617 .9383 .4102 .02        .007   .007   .012   .002   .002  -.002
MnY  .0617 .9383 .4102 .06        .007   .007   .012   .002   .002  -.002
ZnY  .0617 .9383 .4102 .01        .007   .007   .012   .002   .002  -.002
LiY  .0617 .9383 .4102 .11        .007   .007   .012   .002   .002  -.002
AlZ  .2615 .2983 .4291 .94        .006   .006   .006   .003  -.001   .000
FeZ  .2615 .2983 .4291 .05        .006   .006   .006   .003  -.001   .000
MgZ  .2615 .2983 .4291 .01        .006   .006   .006   .003  -.001   .000
Si   .1900 .1919 .0393 .96        .005   .005   .006   .003   .000   .000
Al   .1900 .1919 .0393 .04        .005   .005   .006   .003   .000   .000
B    .8898 .1102 .5853            .007   .007   .008   .003   .000   .000
OH1      0     0 .2563 .85        .048   .048   .014   .024      0      0
F1       0     0 .2563 .15        .048   .048   .014   .024      0      0
O2   .9384 .0616 .5560            .021   .021   .012   .018   .000   .000
OH3  .1344 .8657 .5300            .012   .012   .007   .002   .000   .000
O4   .9066 .0934 .9704            .008   .008   .009   .001  -.001   .001
O5   .0935 .9065 .9482            .008   .008   .009   .000   .000   .000
O6   .1877 .1978 .2642            .010   .009   .006   .004   .000   .000
O7   .2859 .2854 .9602            .006   .007   .008   .002   .001   .001
O8   .2708 .2099 .5990            .010   .006   .011   .004  -.002  -.001
H3   .1319 .8681 .6610     .023
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Fluor-dravite
 
Camara F, Ottolini L, Hawthorne F C
Download am/vol87/AM87_1437.pdf
American Mineralogist 87 (2000) 1437-1442
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS
Sample: Crystal 3
Locality: a pegmatite at Minas Gerais, Brazil
_database_code_amcsd 0002915
15.921 15.921 7.137 90 90 120 R3m
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX      0     0 .8189 .81        .025   .025   .016   .012      0      0
CaX      0     0 .8189 .01        .025   .025   .016   .012      0      0
KX       0     0 .8189 .01        .025   .025   .016   .012      0      0
Fe2Y .0622 .9378 .4242 .30        .006   .006   .008   .002   .001  -.001
MgY  .0622 .9378 .4242 .20        .006   .006   .008   .002   .001  -.001
AlY  .0622 .9378 .4242 .26        .006   .006   .008   .002   .001  -.001
LiY  .0622 .9378 .4242 .22        .006   .006   .008   .002   .001  -.001
TiY  .0622 .9378 .4242 .02        .006   .006   .008   .002   .001  -.001
AlZ  .2611 .2978 .4414            .006   .006   .004   .003  -.001   .000
SiT  .1899 .1919 .0529 .96        .004   .004   .004   .002   .000   .000
B    .8902 .1098 .5977            .006   .006   .007   .003   .000   .000
O1       0     0 .2714 .03        .062   .062   .010   .031      0      0
OH1      0     0 .2714 .42        .062   .062   .010   .031      0      0
F1       0     0 .2714 .55        .062   .062   .010   .031      0      0
O2   .9389 .0611 .5687            .022   .022   .010   .020   .000   .000
OH3  .1343 .8657 .5432            .010   .010   .006   .001   .000   .000
O4   .9068 .0932 .9822            .007   .007   .007   .000   .000   .000
O5   .0932 .9068 .9603            .007   .007   .007   .000   .000   .000
O6   .1870 .1971 .2768            .009   .007   .004   .003   .000   .000
O7   .2857 .2855 .9727            .006   .005   .006   .001   .001   .000
O8   .2706 .2099 .6115            .010   .005   .008   .004  -.003  -.001
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Tuperssuatsiaite
Download hom/tuperssuatsiaite.pdf
Camara F, Garvie L A J, Devouard B, Groy T L, Buseck P R
Download am/vol87/AM87_1458.pdf
American Mineralogist 87 (2002) 1458-1463
The structure of Mn-tuperssuatsiaite, a palygorskite-related mineral
_database_code_amcsd 0002916
14.034 17.841 5.265 90 103.67 90 C2/m
atom     x     y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .2974 .4158  .0366     .016   .019   .013   .016  -.003   .006      0
Si2  .2962 .3327  .5301     .017   .022   .016   .013  -.005   .005  -.001
FeM1    .5    .5      0 .43 .014   .021   .011   .013      0   .007      0
MnM1    .5    .5      0 .57 .014   .021   .011   .013      0   .007      0
FeM2    .5 .4095     .5 .33 .015   .015   .018   .013      0   .003      0
MnM2    .5 .4095     .5 .67 .015   .015   .018   .013      0   .003      0
NaM3    .5 .2970      0 .94 .029   .030   .032   .021      0  -.002      0
O1   .4154 .4164  .1216     .017   .019   .017   .017  -.001   .009  -.002
O2   .4120 .3333  .5920     .022   .025   .026   .016   .001   .008  -.001
O3     .25   .25     .5     .031   .046   .019   .030  -.013   .013      0
OH4  .5699    .5  .3767     .020   .027   .015   .018      0   .006      0
O5   .2539    .5 -.0055     .022   .021   .013   .031      0   .002      0
O6   .2515 .3766  .2581     .021   .018   .027   .021      0   .009   .002
O7   .2563 .3716  .7655     .023   .021   .023   .025  -.006   .007  -.004
Wat8 .4291 .2048  .2070     .103   .095   .112   .115  -.060   .051  -.027
O9   .5560     0  .2900     .500
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-1, before heat treatment
Locality: Parana, Brazil
_database_code_amcsd 0003147
9.716 8.946 5.252 90 108.49 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3381 .1688       .008   .005   .008   .010   .000   .002   .000
O1b   .3736 .8364 .1344       .008   .006   .008   .010   .001   .002   .000
O2A   .1218 .4994 .3324       .010   .011   .007   .013  -.002   .005  -.001
O2B   .6288 .9879 .3726       .014   .014   .010   .020  -.007   .009  -.007
O3A   .1043 .2391 .0765       .018   .007   .024   .022  -.001   .004   .000
O3B   .6050 .7097 .4808       .013   .007   .019   .013   .001   .003   .008
SiA   .0426 .3405 .2761       .006   .005   .005   .010  -.001   .003  -.001
SiB   .5494 .8374 .2386       .006   .005   .005   .007  -.001   .003  -.001
MgM1  .2504 .6547 .2319 .7595 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6547 .2319 .2155 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6547 .2319 .0070 .006   .006   .006   .007   .000   .002   .000
CaM2  .2552 .0190 .2294 .1950 .011   .008   .015   .007   .001   .000   .002
MgM2  .2552 .0190 .2294 .1624 .011   .008   .015   .007   .001   .000   .002
FeM2  .2552 .0190 .2294 .6222 .011   .008   .015   .007   .001   .000   .002
MnM2  .2552 .0190 .2294 .0204 .011   .008   .015   .007   .001   .000   .002
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-2, after heating at 700 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003148
9.708 8.941 5.244 90 108.52 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1327 .3384 .1699       .008   .005   .009   .009   .000   .002   .000
O1b   .3737 .8368 .1339       .008   .006   .010   .009   .000   .002   .000
O2A   .1217 .4995 .3318       .010   .011   .007   .012  -.003   .005  -.001
O2B   .6293 .9875 .3740       .014   .014   .010   .020  -.006   .010  -.007
O3A   .1043 .2375 .0795       .016   .008   .021   .019  -.001   .004      0
O3B   .6051 .7086 .4795       .013   .007   .019   .012   .001   .003   .008
SiA   .0426 .3404 .2775       .006   .005   .006   .009  -.001   .003  -.001
SiB   .5496 .8374 .2380       .006   .005   .006   .007  -.001   .002  -.001
MgM1  .2504 .6546 .2311 .7283 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6546 .2311 .2458 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6546 .2311 .0079 .006   .006   .006   .007   .000   .002   .000
CaM2  .2553 .0188 .2286 .1953 .011   .008   .015   .007   .001   .000   .002
MgM2  .2553 .0188 .2286 .1974 .011   .008   .015   .007   .001   .000   .002
FeM2  .2553 .0188 .2286 .5879 .011   .008   .015   .007   .001   .000   .002
MnM2  .2553 .0188 .2286 .0194 .011   .008   .015   .007   .001   .000   .002
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-3, after heating at 750 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003149
9.707 8.941 5.247 90 108.48 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3385 .1699       .008   .006   .010   .009   .000   .002   .000
O1b   .3738 .8369 .1343       .009   .006   .010   .010   .000   .002   .000
O2A   .1217 .4996 .3316       .011   .012   .007   .013  -.003   .005  -.001
O2B   .6293 .9874 .3737       .014   .014   .011   .020  -.006   .010  -.007
O3A   .1045 .2372 .0799       .017   .009   .022   .018  -.001   .004      0
O3B   .6050 .7086 .4791       .014   .008   .020   .013   .001   .003   .008
SiA   .0427 .3404 .2776       .007   .006   .006   .010  -.001   .003  -.001
SiB   .5496 .8374 .2382       .007   .006   .006   .008  -.001   .003  -.001
MgM1  .2504 .6546 .2310 .7159 .007   .007   .006   .008   .009   .000   .002
FeM1  .2504 .6546 .2310 .2544 .007   .007   .006   .008   .009   .000   .002
MnM1  .2504 .6546 .2310 .0082 .007   .007   .006   .008   .009   .000   .002
CaM2  .2554 .0188 .2286 .1953 .011   .009   .016   .008   .002   .001   .002
MgM2  .2554 .0188 .2286 .2049 .011   .009   .016   .008   .002   .001   .002
FeM2  .2554 .0188 .2286 .5807 .011   .009   .016   .008   .002   .001   .002
MnM2  .2554 .0188 .2286 .0191 .011   .009   .016   .008   .002   .001   .002
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-4, after heating at 800 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003150
9.707 8.943 5.246 90 108.47 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3386 .1705       .008   .005   .009   .008   .000   .002   .000
O1b   .3738 .8369 .1341       .008   .006   .009   .009   .001   .002   .000
O2A   .1217 .4995 .3315       .010   .012   .007   .012  -.003   .005  -.001
O2B   .6294 .9874 .3741       .013   .014   .011   .019  -.006   .010  -.007
O3A   .1041 .2370 .0802       .016   .008   .021   .018  -.001   .004      0
O3B   .6049 .7084 .4791       .013   .007   .019   .012   .001   .003   .007
SiA   .0426 .3404 .2780       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8373 .2380       .006   .006   .006   .007  -.001   .002  -.001
MgM1  .2505 .6546 .2307 .7108 .006   .007   .006   .006   .000   .002   .000
FeM1  .2505 .6546 .2307 .2626 .006   .007   .006   .006   .000   .002   .000
MnM1  .2505 .6546 .2307 .0085 .006   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0187 .2283 .1935 .011   .009   .015   .007   .002   .001   .002
MgM2  .2554 .0187 .2283 .2188 .011   .009   .015   .007   .002   .001   .002
FeM2  .2554 .0187 .2283 .5668 .011   .009   .015   .007   .002   .001   .002
MnM2  .2554 .0187 .2283 .0189 .011   .009   .015   .007   .002   .001   .002
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-5, after heating at 850 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003151
9.711 8.944 5.249 90 108.49 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1324 .3385 .1710       .008   .007   .009   .009   .001   .002   .000
O1b   .3738 .8371 .1334       .008   .007   .009   .009   .000   .002  -.001
O2A   .1216 .4995 .3307       .010   .013   .007   .012  -.003   .007  -.001
O2B   .6287 .9875 .3729       .014   .013   .011   .021  -.004   .010  -.006
O3A   .1041 .2369 .0802       .014   .007   .018   .016  -.002   .003  -.009
O3B   .6047 .7089 .4800       .012   .009   .016   .012   .001   .003   .006
SiA   .0426 .3404 .2783       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8372 .2379       .006   .006   .006   .007  -.001   .003  -.001
MgM1  .2504 .6545 .2304 .6900 .007   .007   .006   .006   .000   .002   .000
FeM1  .2504 .6545 .2304 .2784 .007   .007   .006   .006   .000   .002   .000
MnM1  .2504 .6545 .2304 .0087 .007   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0191 .2282 .1787 .011   .010   .016   .007   .002   .001   .003
MgM2  .2554 .0191 .2282 .2310 .011   .010   .016   .007   .002   .001   .003
FeM2  .2554 .0191 .2282 .5720 .011   .010   .016   .007   .002   .001   .003
MnM2  .2554 .0191 .2282 .0183 .011   .010   .016   .007   .002   .001   .003
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Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003152
9.718 8.951 5.250 90 108.50 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3384 .1704       .007   .006   .009   .007  -.001   .002   .000
O1b   .3734 .8374 .1339       .007   .006   .007   .007   .002   .002   .001
O2A   .1220 .4997 .3315       .009   .013   .006   .011  -.005   .006   .001
O2B   .6281 .9868 .3717       .014   .013   .010   .020  -.006   .008  -.004
O3A   .1041 .2370 .0798       .012   .006   .014   .014   .000   .001  -.008
O3B   .6043 .7098 .4800       .011   .006   .017   .010   .001   .002   .005
SiA   .0424 .3407 .2780       .006   .004   .005   .008  -.001   .002  -.002
SiB   .5498 .8370 .2377       .005   .005   .004   .007   .000   .002   .000
MgM1  .2505 .6546 .2303 .7010 .006   .006   .005   .006  -.001   .001  -.001
FeM1  .2505 .6546 .2303 .2736 .006   .006   .005   .006  -.001   .001  -.001
MnM1  .2505 .6546 .2303 .0086 .006   .006   .005   .006  -.001   .001  -.001
CaM2  .2554 .0194 .2281 .1803 .011   .009   .015   .007   .002  -.001   .002
MgM2  .2554 .0194 .2281 .2406 .011   .009   .015   .007   .002  -.001   .002
FeM2  .2554 .0194 .2281 .5607 .011   .009   .015   .007   .002  -.001   .002
MnM2  .2554 .0194 .2281 .0184 .011   .009   .015   .007   .002  -.001   .002
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Na(NaMg)Mg5Si8O22(OH)2
 
Iezzi G, Della Ventura G, Oberti R, Camara F, Holtz F
Download am/vol89/AM89_640.pdf
American Mineralogist 89 (2004) 640-646
Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole
_database_code_amcsd 0003533
9.689 17.938 5.268 90 102.50 90 P2_1/m
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA    .2654   .25 .0462     3.56  .0063  .0038  .0413      0  .0130      0
MgM1  -.2499 .3382 .4850      .65  .0022  .0004  .0064  .0000  .0011 -.0001
MgM2  -.2503 .4295 .9842      .66  .0021  .0004  .0070  .0000  .0013  .0002
MgM3  -.2494   .25 .9859      .62  .0023  .0004  .0053      0  .0011      0
NaM4  -.2461 .5054 .4840  .5  .84  .0026  .0006  .0091  .0001  .0028  .0005
MgM4  -.2461 .5054 .4840  .5  .84  .0026  .0006  .0091  .0001  .0028  .0005
SiT1A  .0324 .3355 .2619      .54  .0017  .0003  .0052  .0000  .0007  .0000
SiT1B  .5321 .8346 .2949      .52  .0017  .0004  .0047  .0000  .0009  .0001
SiT2A  .0408 .4214 .7677      .53  .0017  .0003  .0053 -.0001  .0007  .0000
SiT2B  .5439 .9195 .7989      .67  .0021  .0005  .0056 -.0003  .0006  .0001
O1A   -.1369 .3368 .1973      .58  .0017  .0003  .0069  .0002  .0011 -.0002
O1B    .3629 .8366 .2255      .57  .0021  .0004  .0047 -.0003  .0010  .0001
O2A   -.1302 .4217 .7018      .77  .0019  .0008  .0061  .0000  .0010 -.0003
O2B    .3734 .9219 .7355      .72  .0019  .0005  .0085 -.0001  .0014 -.0002
Oh3A  -.1394   .25 .6943      .68  .0021  .0005  .0064      0  .0008      0
Oh3B   .3577   3/4 .7221      .72  .0019  .0004  .0089      0  .0010      0
O4A    .1199 .4993 .7959     1.16  .0046  .0005  .0099 -.0007 -.0005 -.0002
O4B    .6258 .9938 .7658     1.80  .0060  .0008  .0159 -.0019 -.0034  .0021
O5A    .0969 .3674 .0237     1.00  .0025  .0009  .0092  .0002  .0015  .0012
O5B    .6002 .8854 .0969      .97  .0022  .0010  .0085  .0000  .0011  .0013
O6A    .0994 .3800 .5277     1.07  .0025  .0010  .0092  .0004  .0006 -.0018
O6B    .5934 .8578 .5964     1.07  .0022  .0011  .0087  .0001  .0006 -.0011
O7A    .0921   .25 .2998      .94  .0017  .0005  .0156      0  .0016      0
O7B    .5905   3/4 .2613      .83  .0023  .0002  .0139      0  .0021      0
H1     -.053   .25  .751     3.28
H2      .566   .25  .241     1.87
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Ferri-ottoliniite
 
Oberti R, Camara F, Caballero J M
Download am/vol89/AM89_888.pdf
American Mineralogist 89 (2004) 888-893
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
Group 5 for monoclinic amphiboles
_database_code_amcsd 0003547
9.535 17.876 5.294 90 102.54 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0   1/2     0  .08  .16
KA       0   1/2     0 .015  .16
NaAm  .067   1/2  .136 .298 2.74  .0099  .0017  .0312      0  .0119      0
KAm   .067   1/2  .136 .055 2.74  .0099  .0017  .0312      0  .0119      0
MgM1     0 .0882   1/2 .605  .84  .0038  .0004  .0064      0  .0014      0
FeM1     0 .0882   1/2 .275  .84  .0038  .0004  .0064      0  .0014      0
ZnM1     0 .0882   1/2 .120  .84  .0038  .0004  .0064      0  .0014      0
FeM2     0 .1813     0 .855  .68  .0029  .0004  .0056      0  .0012      0
AlM2     0 .1813     0 .050  .68  .0029  .0004  .0056      0  .0012      0
TiM2     0 .1813     0 .030  .68  .0029  .0004  .0056      0  .0012      0
ZnM2     0 .1813     0 .035  .68  .0029  .0004  .0056      0  .0012      0
MgM2     0 .1813     0 .030  .68  .0029  .0004  .0056      0  .0012      0
LiM3     0     0     0  .42  .92  .0036  .0006  .0073      0  .0011      0
MnM3     0     0     0  .13  .92  .0036  .0006  .0073      0  .0011      0
FeM3     0     0     0  .37  .92  .0036  .0006  .0073      0  .0011      0
MgM3     0     0     0  .08  .92  .0036  .0006  .0073      0  .0011      0
LiM4     0 .2743   1/2  .46 2.62  .0111  .0016  .0209      0  .0062      0
CaM4     0 .2743   1/2  .02 2.62  .0111  .0016  .0209      0  .0062      0
NaM4     0 .2743   1/2  .26 2.62  .0111  .0016  .0209      0  .0062      0
LiM4'    0 .2477   1/2  .16 1.92
CaM4'    0 .2477   1/2  .01 1.92
NaM4'    0 .2477   1/2  .09 1.92
SiT1 .2856 .0860 .2806       .76  .0030  .0004  .0069  .0000  .0007 -.0001
SiT2 .2957 .1707 .7895       .72  .0032  .0003  .0059 -.0001  .0006  .0000
H     .204     0  .771 .755  .51
O1   .1126 .0907 .2063       .86  .0032  .0004  .0088 -.0001  .0012  .0002
O2   .1213 .1726 .7326       .92  .0035  .0007  .0066  .0001  .0014 -.0004
O3   .1141     0 .7013 .755 1.23  .0045  .0006  .0121      0  .0015      0
F3   .1141     0 .7013 .235 1.23  .0045  .0006  .0121      0  .0015      0
O4   .3727 .2502 .7868      1.11  .0049  .0004  .0097 -.0006  .0005  .0002
O5   .3544 .1294 .0676       .96  .0038  .0008  .0051 -.0003  .0016  .0008
O6   .3454 .1204 .5658      1.00  .0036  .0009  .0059  .0003  .0009 -.0012
O7   .3380     0 .2839      1.07  .0042  .0004  .0132      0  .0034      0
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Ferriwhittakerite
 
Oberti R, Camara F, Caballero J M
Download am/vol89/AM89_888.pdf
American Mineralogist 89 (2004) 888-893
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
Group 5 for monoclinic amphiboles
_database_code_amcsd 0003548
9.712 17.851 5.297 90 103.63 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0   1/2     0 .139 2.23  .0066  .0015  .0264      0  .0076      0
KA       0   1/2     0 .028 2.23  .0066  .0015  .0264      0  .0076      0
NaAm .0548   1/2 .1126 .501 2.21  .0080  .0015  .0287      0  .0151      0
KAm  .0548   1/2 .1126 .102 2.21  .0080  .0015  .0287      0  .0151      0
MgM1     0 .0867   1/2 .690  .77  .0023  .0006  .0070      0  .0010      0
FeM1     0 .0867   1/2 .225  .77  .0023  .0006  .0070      0  .0010      0
ZnM1     0 .0867   1/2 .085  .77  .0023  .0006  .0070      0  .0010      0
FeM2     0 .1798     0 .740  .61  .0019  .0004  .0058      0  .0004      0
AlM2     0 .1798     0 .050  .61  .0019  .0004  .0058      0  .0004      0
TiM2     0 .1798     0 .060  .61  .0019  .0004  .0058      0  .0004      0
ZnM2     0 .1798     0 .115  .61  .0019  .0004  .0058      0  .0004      0
MgM2     0 .1798     0 .035  .61  .0019  .0004  .0058      0  .0004      0
LiM3     0     0     0 .730  .98  .0030  .0004  .0109      0 -.0012      0
MnM3     0     0     0 .120  .98  .0030  .0004  .0109      0 -.0012      0
FeM3     0     0     0 .130  .98  .0030  .0004  .0109      0 -.0012      0
MgM3     0     0     0 .020  .98  .0030  .0004  .0109      0 -.0012      0
LiM4     0 .2758   1/2 .310 1.24  .0044  .0011  .0105      0  .0057      0
CaM4     0 .2758   1/2 .055 1.24  .0044  .0011  .0105      0  .0057      0
NaM4     0 .2758   1/2 .635 1.24  .0044  .0011  .0105      0  .0057      0
H     .218     0  .786 .650 1.79
SiT1 .2809 .0859 .2890       .55  .0020  .0003  .0050  .0000  .0004 -.0001
SiT2 .2916 .1709 .7991       .63  .0022  .0004  .0052 -.0001 -.0001 -.0002
O1   .1110 .0907 .2121       .69  .0024  .0005  .0058  .0003  .0018  .0000
O2   .1195 .1711 .7325       .77  .0019  .0005  .0082  .0000 -.0009 -.0003
O3   .1131     0 .7005 .650 1.27  .0049  .0006  .0097      0 -.0008      0
F3   .1131     0 .7005 .350 1.27  .0049  .0006  .0097      0 -.0008      0
O4   .3660 .2507 .7969       .97  .0035  .0005  .0091 -.0003  .0014 -.0001
O5   .3513 .1290 .0802      1.01  .0028  .0010  .0070 -.0004  .0005 -.0003
O6   .3440 .1202 .5769       .93  .0028  .0007  .0074  .0002  .0000 -.0009
O7   .3362     0 .2960       .84  .0015  .0005  .0116      0 -.0003      0
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Clino-ferri-holmquistite
 
Oberti R, Camara F, Caballero J M
Download am/vol89/AM89_888.pdf
American Mineralogist 89 (2004) 888-893
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
Group 5 for monoclinic amphiboles
Note: this is the previously named ferri-ottoliniite
Locality: Pedriza massif, Sierra de Guadarrama, Spain
_database_code_amcsd 0020050
9.535 17.876 5.294 90 102.54 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0    .5     0  .08  .16
KA       0    .5     0 .015  .16
NaAm  .067    .5  .136 .298 2.74  .0099  .0017  .0312      0  .0119      0
KAm   .067    .5  .136 .055 2.74  .0099  .0017  .0312      0  .0119      0
MgM1     0 .0882    .5 .605  .84  .0038  .0004  .0064      0  .0014      0
FeM1     0 .0882    .5 .275  .84  .0038  .0004  .0064      0  .0014      0
ZnM1     0 .0882    .5 .120  .84  .0038  .0004  .0064      0  .0014      0
FeM2     0 .1813     0 .855  .68  .0029  .0004  .0056      0  .0012      0
AlM2     0 .1813     0 .050  .68  .0029  .0004  .0056      0  .0012      0
TiM2     0 .1813     0 .030  .68  .0029  .0004  .0056      0  .0012      0
ZnM2     0 .1813     0 .035  .68  .0029  .0004  .0056      0  .0012      0
MgM2     0 .1813     0 .030  .68  .0029  .0004  .0056      0  .0012      0
LiM3     0     0     0  .42  .92  .0036  .0006  .0073      0  .0011      0
MnM3     0     0     0  .13  .92  .0036  .0006  .0073      0  .0011      0
FeM3     0     0     0  .37  .92  .0036  .0006  .0073      0  .0011      0
MgM3     0     0     0  .08  .92  .0036  .0006  .0073      0  .0011      0
LiM4     0 .2743    .5  .46 2.62  .0111  .0016  .0209      0  .0062      0
CaM4     0 .2743    .5  .02 2.62  .0111  .0016  .0209      0  .0062      0
NaM4     0 .2743    .5  .26 2.62  .0111  .0016  .0209      0  .0062      0
LiM4'    0 .2477    .5  .16 1.92
CaM4'    0 .2477    .5  .01 1.92
NaM4'    0 .2477    .5  .09 1.92
SiT1 .2856 .0860 .2806       .76  .0030  .0004  .0069  .0000  .0007 -.0001
SiT2 .2957 .1707 .7895       .72  .0032  .0003  .0059 -.0001  .0006  .0000
H     .204     0  .771 .755  .51
O1   .1126 .0907 .2063       .86  .0032  .0004  .0088 -.0001  .0012  .0002
O2   .1213 .1726 .7326       .92  .0035  .0007  .0066  .0001  .0014 -.0004
O3   .1141     0 .7013 .755 1.23  .0045  .0006  .0121      0  .0015      0
F3   .1141     0 .7013 .235 1.23  .0045  .0006  .0121      0  .0015      0
O4   .3727 .2502 .7868      1.11  .0049  .0004  .0097 -.0006  .0005  .0002
O5   .3544 .1294 .0676       .96  .0038  .0008  .0051 -.0003  .0016  .0008
O6   .3454 .1204 .5658      1.00  .0036  .0009  .0059  .0003  .0009 -.0012
O7   .3380     0 .2839      1.07  .0042  .0004  .0132      0  .0034      0
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Ferri-leakeite
Download hom/ferrileakeite.pdf
Oberti R, Camara F, Caballero J M
Download am/vol89/AM89_888.pdf
American Mineralogist 89 (2004) 888-893
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
Group 5 for monoclinic amphiboles
Note: this is the previously named ferriwhittakerite
Locality: Pedriza massif, Sierra de Guadarrama, Spain
_database_code_amcsd 0020051
9.712 17.851 5.297 90 103.63 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0    .5     0 .139 2.23  .0066  .0015  .0264      0  .0076      0
KA       0    .5     0 .028 2.23  .0066  .0015  .0264      0  .0076      0
NaAm .0548    .5 .1126 .501 2.21  .0080  .0015  .0287      0  .0151      0
KAm  .0548    .5 .1126 .102 2.21  .0080  .0015  .0287      0  .0151      0
MgM1     0 .0867    .5 .690  .77  .0023  .0006  .0070      0  .0010      0
FeM1     0 .0867    .5 .225  .77  .0023  .0006  .0070      0  .0010      0
ZnM1     0 .0867    .5 .085  .77  .0023  .0006  .0070      0  .0010      0
FeM2     0 .1798     0 .740  .61  .0019  .0004  .0058      0  .0004      0
AlM2     0 .1798     0 .050  .61  .0019  .0004  .0058      0  .0004      0
TiM2     0 .1798     0 .060  .61  .0019  .0004  .0058      0  .0004      0
ZnM2     0 .1798     0 .115  .61  .0019  .0004  .0058      0  .0004      0
MgM2     0 .1798     0 .035  .61  .0019  .0004  .0058      0  .0004      0
LiM3     0     0     0 .730  .98  .0030  .0004  .0109      0 -.0012      0
MnM3     0     0     0 .120  .98  .0030  .0004  .0109      0 -.0012      0
FeM3     0     0     0 .130  .98  .0030  .0004  .0109      0 -.0012      0
MgM3     0     0     0 .020  .98  .0030  .0004  .0109      0 -.0012      0
LiM4     0 .2758    .5 .310 1.24  .0044  .0011  .0105      0  .0057      0
CaM4     0 .2758    .5 .055 1.24  .0044  .0011  .0105      0  .0057      0
NaM4     0 .2758    .5 .635 1.24  .0044  .0011  .0105      0  .0057      0
H     .218     0  .786 .650 1.79
SiT1 .2809 .0859 .2890       .55  .0020  .0003  .0050  .0000  .0004 -.0001
SiT2 .2916 .1709 .7991       .63  .0022  .0004  .0052 -.0001 -.0001 -.0002
O1   .1110 .0907 .2121       .69  .0024  .0005  .0058  .0003  .0018  .0000
O2   .1195 .1711 .7325       .77  .0019  .0005  .0082  .0000 -.0009 -.0003
O3   .1131     0 .7005 .650 1.27  .0049  .0006  .0097      0 -.0008      0
F3   .1131     0 .7005 .350 1.27  .0049  .0006  .0097      0 -.0008      0
O4   .3660 .2507 .7969       .97  .0035  .0005  .0091 -.0003  .0014 -.0001
O5   .3513 .1290 .0802      1.01  .0028  .0010  .0070 -.0004  .0005 -.0003
O6   .3440 .1202 .5769       .93  .0028  .0007  .0074  .0002  .0000 -.0009
O7   .3362     0 .2960       .84  .0015  .0005  .0116      0 -.0003      0
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NaNa2Mg5Si8O21(OH)3
 
Camara F, Oberti R, Della Ventura G, Welch M D, Maresch W V
Download am/vol89/AM89_1464.pdf
American Mineralogist 89 (2004) 1464-1473
The crystal structure of synthetic NaNa2Mg5Si8O21(OH)3, a triclinic C-1
amphibole with a triple-cell and H excess
Note: occupancies unreported, so calculated formula has an extra OH
_database_code_amcsd 0003648
9.883 54.082 5.277 90.045 103.068 89.960 C-1
atom        x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM4    .0263  .09136  .5241     .0402  .0462  .0400  .0403 -.0094  .0220 -.0150
NaM41   .4663  .25874  .4552     .0176  .0170  .0198  .0125  .0007 -.0039  .0010
NaM42   .4738  .07400  .4547     .0412  .0787  .0265  .0288  .0169  .0338  .0123
NaA       1/2       0      0     .0869  .0510  .1497  .0712  .0226  .0376 -.0094
NaA1    .0214  .16632 1.0347     .0613  .0293  .1061  .0547 -.0126  .0224  .0017
MgM1    .0069  .02984  .5070     .0181  .0142  .0160  .0204 -.0001 -.0037  .0003
MgM2    .0121  .06009  .0054     .0178  .0157  .0136  .0234  .0041  .0030  .0024
MgM3        0       0      0     .0136  .0150  .0139  .0067  .0078 -.0083  .0004
MgM11   .5014  .19646  .4748     .0101  .0139  .0119  .0024  .0037 -.0027 -.0012
MgM12   .5082  .13723  .4792     .0115  .0150  .0128  .0070 -.0002  .0031  .0001
MgM21   .4926  .22672 -.0320     .0113  .0111  .0158  .0044 -.0027 -.0039  .0036
MgM22   .5028  .10656 -.0313     .0157  .0172  .0163  .0154 -.0015  .0080 -.0035
MgM31  -.4945  .16667 -.0216     .0090  .0118  .0111  .0029 -.0044 -.0007  .0007
SiT1A  -.2743  .02996  .7205     .0138  .0113  .0103  .0158 -.0027 -.0057  .0059
SiT2A   .7262  .05735  .2168     .0141  .0117  .0128  .0158 -.0038 -.0009 -.0004
SiT1B   .2840  .02651  .2948     .0124  .0091  .0091  .0144  .0013 -.0070 -.0009
SiT2B   .2984  .05545  .8031     .0125  .0088  .0106  .0145 -.0028 -.0052 -.0018
SiT1A1  .2237  .19411  .6891     .0103  .0154  .0091  .0045  .0025 -.0018 -.0044
SiT2A1  .2123  .22275  .1829     .0114  .0167  .0099  .0038  .0031 -.0059 -.0023
SiT1A2 -.2143  .13924  .2663     .0104  .0110  .0165  .0037 -.0012  .0015  .0054
SiT2A2 -.2025  .11051  .7792     .0123  .0155  .0127  .0079  .0018  .0011  .0047
SiT1B1  .7816  .19566  .2634     .0098  .0148  .0127  .0014  .0009  .0007  .0024
SiT2B1  .7146  .27655  .2307     .0153  .0286  .0083  .0082 -.0006  .0027  .0000
SiT1B2  .2290  .13774  .6939     .0106  .0082  .0132  .0095  .0015  .0003 -.0023
SiT2B2  .2236  .10980  .1892     .0103  .0083  .0156  .0082 -.0039  .0046 -.0011
O1A    -.1090  .02960  .7872     .0201
O1B     .1181  .02805  .2164     .0121
O1A1    .3905  .19478  .7611     .0126
O1A2   -.3788  .13801  .1910     .0095
O1B1    .6155  .19553  .1905     .0124
O1B2    .3936  .13737  .7613     .0125
O2A    -.1080  .05698  .2829     .0179
O2B     .1305  .05525  .7345     .0163
O2A1    .3795  .22200  .2510     .0111
O2A2    .6300  .10991  .6982     .0206
O2B1    .6184  .22413  .6972     .0139
O2B2    .3905  .11108  .2544     .0101
O3      .8951  .00054  .2896     .0169
O31     .4012  .16650  .2711     .0138
O32     .6131  .16695  .6867     .0149
O4A     .6528  .08412  .2152     .0114
O4B     .3777  .08035  .8034     .0164
O4A1    .3607  .25233 -.2083     .0237
O4A2   -.1258  .08489 -.2022     .0209
O4B1    .6389  .24954  .2020     .0222
O4B2    .1533  .08374  .2094     .0155
O5A     .6617  .04459  .9383     .0258
O5B     .3562  .04030  .0887     .0247
O5A1    .3458  .29010  .1121     .0081
O5A2   -.1463  .12711  .0404     .0067
O5B1   -.1526  .20763  .0352     .0142
O5B2    .1610  .12182  .8972     .0086
O6A     .6649  .04161  .4330     .0236
O6B     .3485  .03643  .5894     .0237
O6A1    .1616  .20230  .3912     .0087
O6A2   -.1508  .12565  .5402     .0211
O6B1    .6545  .29069  .4615     .0120
O6B2    .1669  .12881  .3937     .0171
O7      .3388 -.00203  .2863     .0130
O71     .1672  .16558  .7118     .0166
O72    -.1550  .16755  .2891     .0209
H       .8088  .00306  .2645     .0000
H1      .3002  .16791  .2525     .0447
H2      .7182  .16750  .7383     .0287
HB1      .700    .243   .380  .5
HA       .695    .095   .390  .5
HA2      .815    .075   .610  .5
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View JMOL 3-D Structure (permalink)
 
Tremolite
Download hom/tremolite.pdf
Oberti R, Camara F, Ottolini L
Download am/vol90/AM90_732.pdf
American Mineralogist 90 (2005) 732-736
Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite
sample from Tastyg spodumene deposit, Tuva, Siberia, Russia
_database_code_amcsd 0003771
9.848 18.049 5.279 90 104.73 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA2     0  .483     0 .031  2.0  .0088  .0016  .0280      0  .0119      0
KA2      0  .483     0 .019  2.0  .0088  .0016  .0280      0  .0119      0
NaAm  .040    .5  .093 .049   .8  .0002  .0013  .0073      0  .0010      0
KAm   .040    .5  .093 .031   .8  .0002  .0013  .0073      0  .0010      0
Mg1      0 .0880    .5  .98  .56  .0015  .0004  .0061      0  .0008      0
Fe1      0 .0880    .5  .04  .56  .0015  .0004  .0061      0  .0008      0
Mg2      0 .1770     0 .975  .53  .0014  .0004  .0058      0  .0008      0
Fe2      0 .1770     0 .010  .53  .0014  .0004  .0058      0  .0008      0
Mn2      0 .1770     0 .005  .53  .0014  .0004  .0058      0  .0008      0
Ti2      0 .1770     0 .005  .53  .0014  .0004  .0058      0  .0008      0
Zn2      0 .1770     0 .005  .53  .0014  .0004  .0058      0  .0008      0
Mg3      0     0     0  .84  .59  .0016  .0004  .0059      0  .0005      0
Al3      0     0     0  .08  .59  .0016  .0004  .0059      0  .0005      0
Fe3      0     0     0  .08  .59  .0016  .0004  .0059      0  .0005      0
Ca4      0 .2778    .5 .925  .79  .0024  .0005  .0097      0  .0028      0
Na4      0 .2778    .5 .075  .79  .0024  .0005  .0097      0  .0028      0
Si1  .2802 .0842 .2974 .991  .44  .0011  .0003  .0052 -.0001  .0005 -.0001
Al1  .2802 .0842 .2974 .008  .44  .0011  .0003  .0052 -.0001  .0005 -.0001
B1   .2802 .0842 .2974 .001  .44  .0011  .0003  .0052 -.0001  .0005 -.0001
Si2  .2881 .1712 .8047 .991  .45  .0011  .0003  .0050 -.0001  .0006  .0000
Al2  .2881 .1712 .8047 .008  .45  .0011  .0003  .0050 -.0001  .0006  .0000
B2   .2881 .1712 .8047 .001  .45  .0011  .0003  .0050 -.0001  .0006  .0000
O1   .1117 .0859 .2179       .55  .0013  .0004  .0059  .0000  .0003  .0000
O2   .1186 .1709 .7250       .59  .0012  .0005  .0063 -.0001  .0004 -.0002
O3   .1087     0 .7155 .835  .76  .0020  .0006  .0078      0  .0010      0
F    .1087     0 .7155 .165  .76  .0020  .0006  .0078      0  .0010      0
O4   .3647 .2480 .7928       .76  .0023  .0004  .0085 -.0004  .0012 -.0001
O5   .3465 .1340 .0996       .74  .0019  .0006  .0069  .0000  .0008  .0007
O6   .3437 .1184 .5902       .68  .0016  .0006  .0060  .0000  .0008 -.0005
O7   .3374     0 .2921       .79  .0021  .0004  .0105      0  .0008      0
H     .190     0  .759 .835   .2
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluoro-pedrizite
 
Oberti R, Camara F, Ottolini L
Download am/vol90/AM90_732.pdf
American Mineralogist 90 (2005) 732-736
Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite
sample from Tastyg spodumene deposit, Tuva, Siberia, Russia
_database_code_amcsd 0003770
9.368 17.616 5.271 90 102.38 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0    .5     0 .144  3.2  .0149  .0009  .0455      0  .0219      0
KA       0    .5     0 .002  3.2  .0149  .0009  .0455      0  .0219      0
NaAm .0673    .5 .1369 .248  2.8  .0117  .0016  .0298      0  .0129      0
KAm  .0673    .5 .1369 .004  2.8  .0117  .0016  .0298      0  .0129      0
Mg1      0 .0890    .5 .845  .64  .0023  .0005  .0059      0  .0015      0
Fe1      0 .0890    .5 .155  .64  .0023  .0005  .0059      0  .0015      0
Al2      0 .1787     0 .990  .59  .0016  .0005  .0060      0  .0006      0
Cr2      0 .1787     0 .005  .59  .0016  .0005  .0060      0  .0006      0
Zn2      0 .1787     0 .005  .59  .0016  .0005  .0060      0  .0006      0
Li3      0     0     0  .64  .51  .0022  .0002  .0051      0  .0006      0
Fe3      0     0     0  .21  .51  .0022  .0002  .0051      0  .0006      0
Mg3      0     0     0  .13  .51  .0022  .0002  .0051      0  .0006      0
Mn3      0     0     0  .02  .51  .0022  .0002  .0051      0  .0006      0
Li4      0 .2587    .5 .965  1.6  .0033  .0024  .0093      0  .0026      0
Ca4      0 .2587    .5 .020  1.6  .0033  .0024  .0093      0  .0026      0
Na4      0 .2587    .5 .015  1.6  .0033  .0024  .0093      0  .0026      0
Si1  .2855 .0879 .2803  .99  .51  .0017  .0003  .0053  .0000  .0008  .0000
Al1  .2855 .0879 .2803  .01  .51  .0017  .0003  .0053  .0000  .0008  .0000
Si2  .2971 .1740 .7929       .53  .0017  .0004  .0050 -.0001  .0007  .0000
O1   .1091 .0933 .2003       .60  .0015  .0005  .0069  .0000  .0008 -.0001
O2   .1190 .1740 .7402       .67  .0016  .0006  .0074  .0000  .0008  .0000
OH3  .1161     0 .6938  .55 1.02  .0032  .0007  .0099      0  .0004      0
F3   .1161     0 .6938  .45 1.02  .0032  .0007  .0099      0  .0004      0
O4   .3759 .2539 .7915       .84  .0028  .0005  .0087 -.0004  .0007  .0001
O5   .3583 .1300 .0677       .98  .0020  .0011  .0087  .0000  .0010  .0013
O6   .3472 .1235 .5650      1.05  .0022  .0012  .0090  .0001  .0006 -.0013
O7   .3391     0 .2881      1.00  .0029  .0003  .0150      0  .0010      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: HS 119915 Siberia
_database_code_amcsd 0003813
18.277 17.650 5.2736 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1252  .1589  .3947   .63 .007
Fe1   .1252  .1589  .3947   .36 .007
Mn1   .1252  .1589  .3947   .01 .007
Al2   .1254  .0687 -.1039   .98 .005
Fe2   .1254  .0687 -.1039  .015 .005
Zn2   .1254  .0687 -.1039  .005 .005
Mg3   .1253    .25 -.1055   .54 .006
Fe3   .1253    .25 -.1055   .46 .006
Li4   .1227 -.0086  .3954   .99 .020
Fe4   .1227 -.0086  .3954   .01 .020
NaA    .375    .25     .5   .03
Si1A  .2695  .1620  .0673 .9975 .004
Al1A  .2695  .1620  .0673 .0025 .004
Si1B -.0188  .1624  .7232 .9975 .005
Al1B -.0188  .1624  .7232 .0025 .005
Si2A  .2736  .0759  .5733       .004
Si2B -.0242  .0770  .2145       .005
O1A   .1804  .1563  .0494       .006
O1B   .0701  .1556  .7396       .007
O2A   .1844  .0753  .5931       .006
O2B   .0652  .0746  .1968       .006
OH3A  .1824    .25  .5542  .985 .008
F3A   .1824    .25  .5542  .015 .008
OH3B  .0685    .25  .2355  .985 .008
F3B   .0685    .25  .2355  .015 .008
O4A   .3127 -.0045  .5616       .007
O4B  -.0649 -.0012  .2673       .008
O5A   .3056  .1147 -.1646       .008
O5B  -.0546  .1136  .9494       .008
O6A   .2967  .1296  .3359       .008
O6B  -.0464  .1334  .4491       .008
O7A   .2933    .25  .0425       .009
O7B  -.0426    .25  .7565       .010
HA    .2312    .25  .5563  .985
HB    .0073    .25  .2307  .985
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Siberia
_database_code_amcsd 0003814
18.277 17.646 5.2792 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1252  .1589  .3943  .655 .007
Fe1   .1252  .1589  .3943   .34 .007
Mn1   .1252  .1589  .3943  .005 .007
Al2   .1253  .0688 -.1041   .98 .007
Fe2   .1253  .0688 -.1041   .02 .007
Mg3   .1253    .25 -.1060   .53 .007
Fe3   .1253    .25 -.1060   .47 .007
Li4   .1239 -.0091  .3986  .855 .018
Mg4   .1239 -.0091  .3986  .025 .018
Na4   .1239 -.0091  .3986  .015 .018
Fe4   .1239 -.0091  .3986  .005 .018
Si1A  .2696  .1619  .0674  .995 .006
Al1A  .2696  .1619  .0674  .005 .006
Si1B -.0191  .1624  .7231  .995 .006
Al1B -.0191  .1624  .7231  .005 .006
Si2A  .2735  .0759  .5736       .006
Si2B -.0242  .0770  .2144       .006
O1A   .1806  .1561  .0499       .007
O1B   .0698  .1560  .7385       .007
O2A   .1844  .0753  .5927       .008
O2B   .0652  .0748  .1973       .008
OH3A  .1822    .25  .5530   .99 .009
F3A   .1822    .25  .5530   .01 .009
OH3B  .0689    .25  .2350   .99 .009
F3B   .0689    .25  .2350   .01 .009
O4A   .3126 -.0042  .5618       .010
O4B  -.0649 -.0014  .2680       .009
O5A   .3056  .1147 -.1646       .009
O5B  -.0543  .1135  .9488       .009
O6A   .2967  .1300  .3371       .010
O6B  -.0463  .1330  .4487       .011
O7A   .2931    .25  .0420       .010
O7B  -.0430    .25  .7561       .011
HA    .2330    .25  .5446   .99
HB    .0221    .25  .2206   .99
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Rwanda
_database_code_amcsd 0003815
18.2754 17.6569 5.2738 90 90 90 Pnma
atom      x      y      z   occ  Uiso
Mg1   .1252  .1590  .3948   .68  .007
Fe1   .1252  .1590  .3948   .30  .007
Mn1   .1252  .1590  .3948   .02  .007
Al2   .1253  .0685 -.1038   .88  .005
Fe2   .1253  .0685 -.1038   .10  .005
Mg2   .1253  .0685 -.1038   .01  .005
Fe2   .1253  .0685 -.1038  .005  .005
Zn2   .1253  .0685 -.1038  .005  .005
Mg3   .1254    .25 -.1051   .62  .006
Fe3   .1254    .25 -.1051   .38  .006
Li4   .1225 -.0063  .3960  .985  .021
Na4   .1225 -.0063  .3960  .005  .021
Mg4   .1225 -.0063  .3960  .005  .021
Fe4   .1225 -.0063  .3960  .005  .021
NaA    .375    .25     .5   .01
Si1A  .2695  .1622  .0677        .004
Si1B -.0188  .1626  .7238        .004
Si2A  .2736  .0762  .5734        .004
Si2B -.0243  .0773  .2153        .005
O1A   .1806  .1566  .0496        .007
O1B   .0701  .1560  .7402        .006
O2A   .1845  .0756  .5922        .006
O2B   .0651  .0747  .1963        .006
OH3A  .1822    .25  .5544  .965  .008
F3A   .1822    .25  .5544  .035  .008
OH3B  .0686    .25  .2358  .965  .009
F3B   .0686    .25  .2358  .035  .009
O4A   .3122 -.0046  .5627        .008
O4B  -.0651 -.0008  .2677       .0007
O5A   .3056  .1148 -.1646        .008
O5B  -.0540  .1139  .9503        .006
O6A   .2968  .1292  .3354        .007
O6B  -.0461  .1340  .4497        .009
O7A   .2933    .25  .0429        .009
O7B  -.0430    .25  .7568        .010
HA    .2353    .25  .5330  .965
HB    .0174    .25  .2492  .965
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Zaire
_database_code_amcsd 0003816
18.3345 17.6955 5.2764 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1252  .1600  .3950  .775 .006
Fe1   .1252  .1600  .3950   .20 .006
Mn1   .1252  .1600  .3950   .02 .006
Zn1   .1252  .1600  .3950  .005 .006
Al2   .1254  .0686 -.1040   .67 .006
Fe3+2 .1254  .0686 -.1040   .30 .006
Fe++2 .1254  .0686 -.1040   .03 .006
Mg3   .1253    .25 -.1051   .80 .006
Fe3   .1253    .25 -.1051   .20 .006
Li4   .1241 -.0069  .3979   .99 .017
Na4   .1241 -.0069  .3979   .01 .017
NaA    .375    .25     .5   .03
Si1A  .2698  .1626  .0676       .006
Si1B -.0192  .1630  .7246       .006
Si2A  .2733  .0767  .5726       .006
Si2B -.0240  .0777  .2177       .006
O1A   .1810  .1582  .0527       .008
O1B   .0695  .1579  .7376       .008
O2A   .1846  .0764  .5881       .008
O2B   .0651  .0757  .2035       .008
OH3A  .1820    .25  .5558  .955 .009
F3A   .1820    .25  .5558  .045 .009
OH3B  .0687    .25  .2345  .955 .009
F3B   .0687    .25  .2345  .045 .009
O4A   .3118 -.0038  .5647       .010
O4B  -.0643 -.0007  .2703       .010
O5A   .3049  .1157 -.1659       .010
O5B  -.0537  .1136  .9512       .009
O6A   .2975  .1294  .3345       .011
O6B  -.0468  .1340  .4513       .010
O7A   .2948    .25  .0455       .011
O7B  -.0438    .25  .7595       .011
HA    .2370    .25  .5680  .955
HB    .0150    .25  .2070  .955
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Uto, Sweden
_database_code_amcsd 0003817
18.335 17.693 5.2743 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1252  .1600  .3949   .77 .006
Fe1   .1252  .1600  .3949   .20 .006
Mn1   .1252  .1600  .3949   .03 .006
Al2   .1253  .0685 -.1043   .65 .003
Fe3+2 .1253  .0685 -.1043   .34 .003
Fe++2 .1253  .0685 -.1043  .005 .003
Zn2   .1253  .0685 -.1043  .005 .003
Mg3   .1254    .25 -.1050   .78 .005
Fe3   .1254    .25 -.1050   .21 .005
Li3   .1254    .25 -.1050   .01 .005
Li4   .1232 -.0058  .3978   .96 .013
Na4   .1232 -.0058  .3978   .04 .013
NaA    .375    .25     .5   .02
Si1A  .2697  .1626  .0676       .004
Si1B -.0190  .1631  .7247       .004
Si2A  .2733  .0767  .5727       .004
Si2B -.0241  .0779  .2176       .004
O1A   .1812  .1585  .0525       .006
O1B   .0694  .1577  .7375       .005
O2A   .1848  .0764  .5878       .006
O2B   .0646  .0756  .2027       .005
OH3A  .1822    .25  .5555  .935 .007
F3A   .1822    .25  .5555  .065 .007
OH3B  .0688    .25  .2350  .935 .007
F3B   .0688    .25  .2350  .065 .007
O4A   .3117 -.0039  .5648       .008
O4B  -.0643 -.0004  .2704       .007
O5A   .3050  .1160 -.1667       .007
O5B  -.0536  .1139  .9514       .006
O6A   .2975  .1291  .3340       .006
O6B  -.0466  .1344  .4513       .008
O7A   .2946    .25  .0447       .009
O7B  -.0441    .25  .7593       .008
HA    .2375    .25  .5365  .935
HB    .0094    .25  .2355  .935
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Holmquistite
Download hom/holmquistite.pdf
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Norway
_database_code_amcsd 0003818
18.336 17.693 5.2755 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1253  .1601  .3952  .765 .006
Fe1   .1253  .1601  .3952  .215 .006
Mn1   .1253  .1601  .3952   .02 .006
Al2   .1253  .0686 -.1040  .665 .005
Fe3+2 .1253  .0686 -.1040   .27 .005
Fe++2 .1253  .0686 -.1040  .055 .005
Mg2   .1253  .0686 -.1040  .005 .005
Zn2   .1253  .0686 -.1040  .005 .005
Mg3   .1252    .25 -.1053   .82 .006
Fe3   .1252    .25 -.1053   .18 .006
Li4   .1235 -.0075  .3962  .965 .017
Mg4   .1235 -.0075  .3962   .03 .017
Na4   .1235 -.0075  .3962  .005 .017
NaA    .375    .25     .5   .04
Si1A  .2698  .1626  .0675       .005
Si1B -.0192  .1629  .7243       .005
Si2A  .2733  .0767  .5725       .005
Si2B -.0241  .0777  .2174       .005
O1A   .1811  .1583  .0525       .007
O1B   .0696  .1578  .7377       .006
O2A   .1845  .0764  .5878       .006
O2B   .0650  .0758  .2022       .007
OH3A  .1822    .25  .5557   .95 .010
F3A   .1822    .25  .5557   .05 .010
OH3B  .0688    .25  .2337   .95 .009
F3B   .0688    .25  .2337   .05 .009
O4A   .3117 -.0038  .5636       .008
O4B  -.0645 -.0007  .2697       .009
O5A   .3048  .1158 -.1657       .008
O5B  -.0537  .1134  .9517       .008
O6A   .2974  .1295  .3342       .009
O6B  -.0466  .1337  .4517       .009
O7A   .2946    .25  .0455       .011
O7B  -.0440    .25  .7597       .009
HA    .2346    .25  .5481   .95
HB    .0188    .25  .2567   .95
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ferro-holmquistite
 
Camara F, Oberti R
Download am/vol90/AM90_1167.pdf
American Mineralogist 90 (2005) 1167-1176
The crystal-chemistry of holmquistites: Ferroholmquistite from
Greenbushes (Western Australia) and
hints for compositional constraints in B-Li amphiboles
Sample: Greenbushes, W Australia
_database_code_amcsd 0003812
18.2872 17.6797 5.2784 90 90 90 Pnma
atom      x      y      z   occ Uiso
Mg1   .1252  .1586  .3950   .50 .006
Fe1   .1252  .1586  .3950   .49 .006
Mn1   .1252  .1586  .3950  .005 .006
Al2   .1254  .0682 -.1036  .945 .005
Fe2   .1254  .0682 -.1036  .055 .005
Fe3   .1253    .25 -.1052   .61 .005
Mg3   .1253    .25 -.1052   .39 .005
Li4   .1233 -.0088  .3981   .94 .018
Mg4   .1233 -.0088  .3981   .04 .018
Na4   .1233 -.0088  .3981  .015 .018
Fe4   .1233 -.0088  .3981  .005 .018
NaA    .375    .25     .5   .01
KA     .375    .25     .5   .01
Si1A  .2694  .1620  .0682       .004
Si1B -.0188  .1625  .7239       .004
Si2A  .2736  .0761  .5745       .004
Si2B -.0242  .0772  .2153       .004
O1A   .1805  .1559  .0493       .006
O1B   .0700  .1554  .7403       .006
O2A   .1845  .0750  .5938       .006
O2B   .0650  .0744  .1981       .005
OH3A  .1823    .25  .5539  .985 .007
F3A   .1823    .25  .5539  .015 .007
OH3B  .0685    .25  .2361  .985 .007
F3B   .0685    .25  .2361  .015 .007
O4A   .3129 -.0040  .5635       .007
O4B  -.0650 -.0009  .2677       .007
O5A   .3055  .1152 -.1641       .007
O5B  -.0544  .1139  .9511       .007
O6A   .2966  .1297  .3364       .008
O6B  -.0464  .1333  .4507       .008
O7A   .2930    .25  .0450       .009
O7B  -.0422    .25  .7556       .008
HA    .2299    .25  .5542  .985
HB    .0141    .25  .2270  .985
Download AMC data (View Text File)
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Parvo-mangano-edenite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1103
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004126
9.8260 18.0487 5.2840 90 104.55 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .10  .89  .0022  .0009  .0060      0  .0001      0
NaAm    .043    .5  .103  .14 2.49  .0068  .0020  .0233      0  .0034      0
NaA2       0 .4724     0  .18 2.54  .0065  .0011  .0479      0  .0161      0
KA2        0 .4724     0  .01 2.54  .0065  .0011  .0479      0  .0161      0
CaM4B      0 .2736    .5 .605 1.32  .0028  .0014  .0126      0  .0034      0
MnM4B      0 .2736    .5 .348 1.32  .0028  .0014  .0126      0  .0034      0
CaM4'B     0 .2524    .5 .030 1.01
MnM4'B     0 .2524    .5 .017 1.01
MgM1       0 .0880    .5  .93  .53  .0016  .0003  .0065      0  .0007      0
Mn2+M1     0 .0880    .5  .06  .53  .0016  .0003  .0065      0  .0007      0
Fe2+M1     0 .0880    .5  .01  .53  .0016  .0003  .0065      0  .0007      0
MgM2       0 .1766     0 .895  .55  .0014  .0003  .0070      0  .0007      0
Mn2+M2     0 .1766     0 .075  .55  .0014  .0003  .0070      0  .0007      0
Fe3+M2     0 .1766     0 .015  .55  .0014  .0003  .0070      0  .0007      0
Ti4+M2     0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
AlM2       0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
Fe2+M2     0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
MgM3       0     0     0  .86  .55  .0014  .0003  .0068      0  .0004      0
AlM3       0     0     0 .055  .55  .0014  .0003  .0068      0  .0004      0
Fe2+M3     0     0     0  .01  .55  .0014  .0003  .0068      0  .0004      0
Mn2+M3     0     0     0 .005  .55  .0014  .0003  .0068      0  .0004      0
SiT1   .2815 .0845 .2960  .77  .50  .0010  .0003  .0067 -.0001  .0002 -.0001
AlT1   .2815 .0845 .2960  .23  .50  .0010  .0003  .0067 -.0001  .0002 -.0001
SiT2   .2911 .1713 .8032       .51  .0011  .0003  .0066 -.0001  .0002  .0001
O1     .1105 .0860 .2175       .63  .0014  .0004  .0077      0  .0002      0
O2     .1206 .1723 .7252       .64  .0013  .0004  .0084      0  .0005  .0001
O3     .1091     0 .7156       .67  .0013  .0004  .0091      0  .0003      0
O4     .3688 .2478 .7827       .99  .0027  .0005  .0115 -.0005  .0001  .0002
O5     .3483 .1369 .1000      1.03  .0017  .0010  .0107      0  .0005  .0015
O6     .3449 .1153 .5967      1.08  .0016  .0010  .0124  .0002  .0007 -.0013
O7     .3410     0 .2749      1.06  .0021  .0006  .0161      0  .0009      0
H       .188     0  .759      1.36
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Parvo-manganotremolite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1104
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004127
9.7807 18.0548 5.2928 90 104.19 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .05 1.92
NaAm    .043    .5  .106 .105 3.37  .0092  .0022  .0463      0  .0146      0
KAm     .043    .5  .106 .005 3.37  .0092  .0022  .0463      0  .0146      0
NaA2       0 .4714     0  .09 2.32  .0054  .0011  .0451      0  .0156      0
CaM4B      0 .2713    .5 .565 1.42  .0028  .0017  .0112      0  .0029      0
MnM4B      0 .2713    .5 .415 1.42  .0028  .0017  .0112      0  .0029      0
NaM4B      0 .2713    .5  .02 1.42  .0028  .0017  .0112      0  .0029      0
MgM1       0 .0878    .5  .94  .59  .0017  .0004  .0059      0  .0005      0
Mn2+M1     0 .0878    .5  .06  .59  .0017  .0004  .0059      0  .0005      0
MgM2       0 .1767     0 .935  .62  .0017  .0004  .0065      0  .0005      0
Mn2+M2     0 .1767     0 .045  .62  .0017  .0004  .0065      0  .0005      0
Fe2+M2     0 .1767     0 .015  .62  .0017  .0004  .0065      0  .0005      0
Fe3+M2     0 .1767     0 .005  .62  .0017  .0004  .0065      0  .0005      0
MgM3       0     0     0  .46  .63  .0017  .0004  .0065      0  .0003      0
AlM3       0     0     0  .03  .63  .0017  .0004  .0065      0  .0003      0
SiT1   .2822 .0843 .2923  .88  .50  .0012  .0003  .0059 -.0001      0 -.0001
AlT1   .2822 .0843 .2923  .12  .50  .0012  .0003  .0059 -.0001      0 -.0001
SiT2   .2913 .1710 .7995       .55  .0013  .0004  .0056 -.0002      0  .0001
O1     .1115 .0859 .2165       .64  .0014  .0005  .0062      0 -.0001  .0001
O2     .1204 .1720 .7239       .69  .0016  .0005  .0076      0  .0006      0
O3     .1103     0 .7147       .65  .0016  .0004  .0075      0  .0002      0
O4     .3691 .2477 .7830      1.03  .0029  .0006  .0107 -.0005 -.0001  .0002
O5     .3482 .1349 .0930       .99  .0018  .0010  .0088      0  .0001  .0011
O6     .3455 .1169 .5880      1.02  .0017  .0010  .0100      0  .0002 -.0011
O7     .3407     0 .2783      1.02  .0020  .0004  .0161      0  .0004      0
H       .204     0  .768      2.06
Download AMC data (View Text File)
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Parvo-mangano-edenite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1079
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004128
9.795 18.047 5.2869 90 104.28 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .07 1.05  .0038  .0001  .0167      0  .0029      0
NaAm    .045    .5  .108 .145 3.26  .0108  .0022  .0325      0  .0084      0
NaA2       0 .4731     0  .14 3.17  .0089  .0013  .0582      0  .0205      0
KA2        0 .4731     0  .01 3.17  .0089  .0013  .0582      0  .0205      0
CaM4B      0 .2726    .5  .45 1.39  .0034  .0014  .0124      0  .0034      0
MnM4B      0 .2726    .5  .45 1.39  .0034  .0014  .0124      0  .0034      0
CaM4'B     0 .2583    .5  .05 1.22
MnM4'B     0 .2583    .5  .05 1.22
MgM1       0 .0879    .5  .94  .66  .0021  .0004  .0065      0  .0007      0
Mn2+M1     0 .0879    .5 .055  .66  .0021  .0004  .0065      0  .0007      0
Fe2+M1     0 .0879    .5 .005  .66  .0021  .0004  .0065      0  .0007      0
MgM2       0 .1767     0  .91  .59  .0018  .0003  .0068      0  .0006      0
Mn2+M2     0 .1767     0  .06  .59  .0018  .0003  .0068      0  .0006      0
Fe3+M2     0 .1767     0  .01  .59  .0018  .0003  .0068      0  .0006      0
AlM2       0 .1767     0  .01  .59  .0018  .0003  .0068      0  .0006      0
Ti4+M2     0 .1767     0 .005  .59  .0018  .0003  .0068      0  .0006      0
Fe2+M2     0 .1767     0 .005  .59  .0018  .0003  .0068      0  .0006      0
MgM3       0     0     0  .86  .63  .0020  .0003  .0070      0  .0005      0
AlM3       0     0     0  .10  .63  .0020  .0003  .0070      0  .0005      0
Mn2+M3     0     0     0  .04  .63  .0020  .0003  .0070      0  .0005      0
SiT1   .2819 .0844 .2938  .84  .53  .0016  .0002  .0065 -.0001  .0002 -.0001
AlT1   .2819 .0844 .2938  .16  .53  .0016  .0002  .0065 -.0001  .0002 -.0001
SiT2   .2914 .1711 .8008       .58  .0016  .0003  .0067 -.0001  .0001  .0001
O1     .1111 .0860 .2175       .68  .0018  .0004  .0078      0  .0003  .0001
O2     .1209 .1722 .7248       .70  .0018  .0004  .0085  .0001  .0005  .0001
O3     .1097     0 .7146       .71  .0017  .0004  .0088      0  .0003      0
O4     .3692 .2476 .7824      1.04  .0031  .0005  .0115  .0005      0  .0003
O5     .3485 .1356 .0952      1.12  .0021  .0010  .0114      0  .0003  .0015
O6     .3454 .1161 .5919      1.15  .0022  .0010  .0119  .0002  .0002 -.0015
O7     .3411     0 .2767      1.09  .0026  .0005  .0149      0  .0006      0
H       .203     0  .767      1.01
Download AMC data (View Text File)
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Arrojadite-(KNa)
Download hom/arrojaditekna.pdf
Camara F, Oberti R, Chopin C, Medenbach O
Download am/vol91/AM91_1249.pdf
American Mineralogist 91 (2006) 1249-1259
The arrojadite enigma: I. A new formula and
a new model for the arrojadite structure
Sample: Rapid Creek, Yukon, Canada
_database_code_amcsd 0004190
16.5520 10.0529 24.6477 90 106.509 90 Cc
atom       x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KA1   -.0003  .4800 -.2457 .83 2.27  .0017  .0035  .0019  .0002  .0011  .0003
Na1    .0001  .0042 -.0002     2.87  .0033  .0049  .0011  .0007 -.0002  .0001
Na2    .1244  .5176  .1244     2.26  .0038  .0029  .0005  .0010 -.0004 -.0001
Ca    -.2367  .2236  .0181 .91  .90  .0009  .0021  .0005 -.0003  .0003 -.0002
Sr    -.2367  .2236  .0181 .01  .90  .0009  .0021  .0005 -.0003  .0003 -.0002
NaB1  -.2947  .5663 -.0439     1.93  .0015  .0056  .0008  .0005  .0000  .0007
NaB2  -.1220  .4855 -.1228     1.89  .0030  .0031  .0005  .0007  .0000  .0001
NaA2  -.0190  .1859  .2288     2.02
NaA2x  .0093  .1754  .2734 .01 2.00
FeM1  -.2247  .8853  .0284  .9 1.08  .0009  .0021  .0007  .0002  .0004  .0003
MnM1  -.2247  .8853  .0284  .1 1.08  .0009  .0021  .0007  .0002  .0004  .0003
FeM2a -.2893  .4803 -.2295  .9  .92  .0010  .0022  .0004 -.0003  .0001  .0000
MnM2a -.2893  .4803 -.2295  .1  .92  .0010  .0022  .0004 -.0003  .0001  .0000
MgM2b  .2859  .5144  .2344  .7  .92  .0009  .0023  .0004  .0000  .0001  .0001
FeM2b  .2859  .5144  .2344 .27  .92  .0009  .0023  .0004  .0000  .0001  .0001
MnM2b  .2859  .5144  .2344 .03  .92  .0009  .0023  .0004  .0000  .0001  .0001
MgM3a -.1125 -.0187 -.1367  .7  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
FeM3a -.1125 -.0187 -.1367 .27  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
MnM3a -.1125 -.0187 -.1367 .03  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
MgM3b  .1036 1.0144  .1417  .7  .78  .0008  .0017  .0004  .0000  .0001 -.0001
FeM3b  .1036 1.0144  .1417 .27  .78  .0008  .0017  .0004  .0000  .0001 -.0001
MnM3b  .1036 1.0144  .1417 .03  .78  .0008  .0017  .0004  .0000  .0001 -.0001
FeM4a -.0239  .2491  .0973  .9  .79  .0007  .0020  .0004  .0001  .0001  .0001
MnM4a -.0239  .2491  .0973  .1  .79  .0007  .0020  .0004  .0001  .0001  .0001
MgM4b  .0238  .7513 -.0926  .7  .76  .0007  .0019  .0004  .0001  .0001  .0000
FeM4b  .0238  .7513 -.0926 .27  .76  .0007  .0019  .0004  .0001  .0001  .0000
MnM4b  .0238  .7513 -.0926 .03  .76  .0007  .0019  .0004  .0001  .0001  .0000
FeM5a  .0297  .2540 -.0973  .9  .75  .0007  .0021  .0003  .0000  .0001  .0000
MnM5a  .0297  .2540 -.0973  .1  .75  .0007  .0021  .0003  .0000  .0001  .0000
FeM5b -.0360  .7407  .1016  .9  .77  .0007  .0021  .0003  .0000  .0001  .0000
MnM5b -.0360  .7407  .1016  .1  .77  .0007  .0021  .0003  .0000  .0001  .0000
FeM6a -.2046  .6943  .1501  .9  .95  .0010  .0029  .0003  .0000  .0001  .0001
MnM6a -.2046  .6943  .1501  .1  .95  .0010  .0029  .0003  .0000  .0001  .0001
FeM6b -.3016  .8083 -.1471  .9 1.06  .0010  .0036  .0003  .0001  .0001  .0000
MnM6b -.3016  .8083 -.1471  .1 1.06  .0010  .0036  .0003  .0001  .0001  .0000
FeM7a -.2866  .2072 -.1525  .9  .86  .0008  .0026  .0003 -.0003  .0002  .0001
MnM7a -.2866  .2072 -.1525  .1  .86  .0008  .0026  .0003 -.0003  .0002  .0001
FeM7b -.2222  .6975 -.3402  .9 1.17  .0011  .0041  .0003  .0007  .0001 -.0001
MnM7b -.2222  .6975 -.3402  .1 1.17  .0011  .0041  .0003  .0007  .0001 -.0001
Al    -.0044  .4995  .0016      .59  .0006  .0015  .0003  .0000  .0001  .0000
P1    -.1165 1.0069  .1344      .65  .0007  .0016  .0003 -.0001  .0002 -.0001
P1x   -.4217  .5030 -.1604      .76  .0008  .0019  .0003 -.0001  .0002 -.0001
P2a   -.1338  .4644  .0770      .65  .0006  .0015  .0003 -.0001  .0002 -.0001
P2b    .1256  .5290 -.0741      .62  .0006  .0016  .0003  .0000  .0002  .0000
P3a   -.1303  .7454 -.0397      .60  .0005  .0016  .0003  .0002  .0001  .0001
P3b   -.3785  .7509  .0414      .60  .0006  .0016  .0003  .0000  .0001  .0000
P4a   -.1075  .2343 -.0462      .60  .0006  .0016  .0002 -.0001  .0001  .0000
P4b    .0984  .7686  .0497      .59  .0006  .0015  .0003  .0000  .0001  .0000
P5a    .1308  .7312  .2145      .66  .0007  .0016  .0003  .0000  .0001  .0000
P5b   -.1346  .2687 -.2097      .65  .0006  .0018  .0003  .0000  .0001  .0000
P6a    .1376  .2992  .2101      .79  .0008  .0017  .0003  .0000  .0000  .0000
P6b   -.1389  .7007 -.2043      .70  .0007  .0015  .0003 -.0001  .0001  .0000
O1a   -.4776  .4360 -.1287     1.28  .0013  .0027  .0008 -.0002  .0006  .0002
O1b   -.0286  .0620  .1357      .94  .0007  .0023  .0006 -.0002  .0002  .0001
O2a   -.3911  .6363 -.1328      .94  .0010  .0021  .0005 -.0001  .0003 -.0002
O2b   -.1144  .8544  .1381      .99  .0010  .0017  .0006 -.0003  .0004 -.0001
O3     .3569  .5701  .1826     1.37  .0015  .0038  .0006 -.0006  .0006 -.0006
O4    -.1819 1.0440  .0786     1.24  .0012  .0031  .0004  .0000 -.0001  .0002
O3x   -.4792  .5233 -.2231     1.57  .0015  .0052  .0004  .0000  .0000  .0000
O4x   -.3479  .4194 -.1654     1.36  .0015  .0028  .0008  .0008  .0008  .0003
O5a   -.0534  .4443  .0570      .81  .0007  .0020  .0004 -.0001  .0003  .0001
O5b    .0480  .5540 -.0524      .84  .0009  .0019  .0004  .0003  .0003  .0001
O6a   -.1229  .5931  .1110      .96  .0009  .0019  .0006 -.0004  .0004 -.0003
O6b    .1131  .4011 -.1084      .93  .0009  .0019  .0006 -.0002  .0004 -.0003
O7a   -.1337  .3374  .1133      .89  .0008  .0021  .0005  .0000  .0004  .0003
O7b   -.3718  .1554 -.1081      .96  .0009  .0021  .0005  .0001  .0003  .0003
O8a   -.2142  .4590  .0288     1.12  .0007  .0036  .0005 -.0001 -.0001  .0001
O8b   -.2922 1.0222 -.0255     1.07  .0009  .0027  .0005  .0001 -.0001  .0000
O9a   -.0812  .8342 -.0699      .98  .0009  .0026  .0005  .0001  .0004  .0001
O9b   -.4184  .6663  .0787      .91  .0009  .0020  .0005 -.0001  .0003  .0002
O10a  -.0997  .6022 -.0373      .81  .0007  .0024  .0003  .0001  .0001  .0001
O10b   .0901  .3952  .0395      .82  .0009  .0014  .0004  .0003  .0001  .0000
O11a  -.1178  .7998  .0211     1.08  .0010  .0038  .0003  .0008  .0002  .0000
O11b  -.3979  .6899 -.0175     1.03  .0013  .0026  .0003  .0004  .0001 -.0002
O12a  -.2248  .7500 -.0684     1.18  .0006  .0033  .0006 -.0002  .0000  .0004
O12b  -.2812  .7545  .0682     1.04  .0006  .0029  .0005  .0002  .0001  .0003
O13a  -.0516  .3576 -.0474      .74  .0008  .0012  .0004 -.0003  .0001  .0000
O13b   .0403  .6464  .0484      .75  .0008  .0016  .0004 -.0001  .0002 -.0001
O14a  -.0731  .1297 -.0795      .83  .0010  .0018  .0004 -.0002  .0002 -.0003
O14b   .0587  .8750  .0791      .85  .0009  .0017  .0005  .0000  .0003 -.0002
O15a  -.0953  .1857  .0147      .81  .0010  .0022  .0003 -.0002  .0001  .0000
O15b   .1000  .8127 -.0092     1.10  .0013  .0030  .0003 -.0006  .0002  .0000
O16a  -.2010  .2648 -.0717      .96  .0006  .0031  .0004  .0000  .0001 -.0001
O16b   .1878  .7331  .0842     1.01  .0006  .0032  .0004  .0002  .0000  .0000
O17a   .0515  .6792  .1718     1.03  .0009  .0026  .0004 -.0002  .0000  .0001
O17b  -.0531  .3193 -.1684     1.02  .0008  .0032  .0004 -.0003 -.0001  .0000
O18a   .1326  .3139 -.2266     1.21  .0013  .0040  .0003  .0002  .0001 -.0001
O18b  -.1417  .3232 -.2681     1.09  .0014  .0031  .0003 -.0005  .0002  .0001
O19a   .1355  .8838  .2105     1.47  .0020  .0018  .0005 -.0005 -.0001  .0001
O19b  -.1352  .1146 -.2091     1.19  .0016  .0015  .0005  .0000  .0000  .0000
O20a   .2077  .6725  .1987     1.13  .0009  .0036  .0005  .0003  .0003  .0001
O20b  -.2091  .3205 -.1893     1.08  .0010  .0028  .0006  .0002  .0003  .0000
O21a   .0520  .3357  .1697     1.14  .0010  .0028  .0005  .0004 -.0001 -.0001
O21b  -.0564  .6617 -.1609     1.04  .0008  .0028  .0004  .0002 -.0002 -.0002
O22a   .1394  .6572 -.2309     2.19  .0029  .0056  .0004 -.0023 -.0002  .0006
O22b  -.1337  .6634 -.2634     1.31  .0017  .0033  .0003  .0007  .0001 -.0001
O23a   .1467  .1465  .2088     1.13  .0015  .0017  .0005 -.0001  .0000 -.0001
O23b  -.1522  .8524 -.2013     1.02  .0013  .0015  .0004  .0004 -.0001 -.0001
O24a   .2090  .3647  .1906     1.86  .0011  .0044  .0011 -.0010  .0001  .0011
O24b  -.2126  .6273 -.1898     1.46  .0011  .0034  .0007 -.0007  .0000  .0004
OW1   -.2357 1.0031 -.1348 .97 1.21  .0011  .0032  .0006  .0000  .0004  .0000
FW1   -.2357 1.0031 -.1348 .03 1.21  .0011  .0032  .0006  .0000  .0004  .0000
OW2   -.2734  .5004  .1370     1.17  .0011  .0032  .0005 -.0002  .0002 -.0001
HW1    -.227  1.008  -.100 .97 1.20
HW2    -.277   .498   .098     1.20
HO3x   -.512   .548  -.269     1.20
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Arrojadite-(SrFe)
 
Camara F, Oberti R, Chopin C, Medenbach O
Download am/vol91/AM91_1249.pdf
American Mineralogist 91 (2006) 1249-1259
The arrojadite enigma: I. A new formula and
a new model for the arrojadite structure
Sample: Horrsjoberg, Varmland, Sweden
_database_code_amcsd 0004191
16.3992 9.9400 24.4434 90 105.489 90 Cc
atom       x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1   -.0051  .0074  .0028     2.03  .0022  .0031  .0009  .0005 -.0003  .0002
Na2    .1325  .5174  .1216     3.12  .0055  .0035  .0006  .0004 -.0007 -.0002
K     -.2307  .2158  .0215 .03 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Ca    -.2307  .2158  .0215 .59 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Na    -.2307  .2158  .0215 .15 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Ba    -.2307  .2158  .0215 .20 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Pb    -.2307  .2158  .0215 .03 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
SrA1  -.0013  .5016 -.2442 .93 2.07  .0014  .0036  .0017 -.0001  .0009 -.0001
NaB2  -.1288  .4861 -.1195  .4 1.76  .0027  .0027  .0005  .0011 -.0001  .0002
FeB1  -.2993  .5494 -.0402  .1 3.39
MnB1  -.2993  .5494 -.0402  .1 3.39
NaB1  -.2993  .5494 -.0402 .13 3.39
FeB1x -.2513  .5184 -.0721  .1 1.72
MnB1x -.2513  .5184 -.0721  .1 1.72
NaB1x -.2513  .5184 -.0721 .13 1.72
FeB1y -.2352  .5148 -.0798  .1  .85
MnB1y -.2352  .5148 -.0798  .1  .85
NaB1y -.2352  .5148 -.0798 .13  .85
FeM1  -.2290  .8860  .0225 .67  .93  .0008  .0024  .0005  .0002  .0003  .0002
MnM1  -.2290  .8860  .0225 .33  .93  .0008  .0024  .0005  .0002  .0003  .0002
FeM2a -.2850  .4866 -.2306 .67 1.48  .0020  .0023  .0006  .0000  .0000  .0000
MnM2a -.2850  .4866 -.2306 .33 1.48  .0020  .0023  .0006  .0000  .0000  .0000
MgM2b  .2877  .5118  .2345  .9  .91  .0010  .0021  .0004 -.0001  .0001  .0000
FeM2b  .2877  .5118  .2345 .07  .91  .0010  .0021  .0004 -.0001  .0001  .0000
MnM2b  .2877  .5118  .2345 .03  .91  .0010  .0021  .0004 -.0001  .0001  .0000
MgM3a -.1115 -.0134 -.1383  .9  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
FeM3a -.1115 -.0134 -.1383 .07  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
MnM3a -.1115 -.0134 -.1383 .03  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
MgM3b  .1000 1.0167  .1437  .9  .87  .0010  .0019  .0004  .0000  .0001  .0000
FeM3b  .1000 1.0167  .1437 .07  .87  .0010  .0019  .0004  .0000  .0001  .0000
MnM3b  .1000 1.0167  .1437 .03  .87  .0010  .0019  .0004  .0000  .0001  .0000
FeM4a -.0225  .2559  .1024 .67  .86  .0007  .0019  .0005  .0001  .0003  .0001
MnM4a -.0225  .2559  .1024 .33  .86  .0007  .0019  .0005  .0001  .0003  .0001
MgM4b  .0208  .7546 -.0947  .9  .96  .0009  .0023  .0005  .0002  .0002  .0001
FeM4b  .0208  .7546 -.0947 .07  .96  .0009  .0023  .0005  .0002  .0002  .0001
MnM4b  .0208  .7546 -.0947 .03  .96  .0009  .0023  .0005  .0002  .0002  .0001
FeM5a  .0310  .2565 -.0967 .67  .78  .0007  .0023  .0003 -.0001  .0002 -.0001
MnM5a  .0310  .2565 -.0967 .33  .78  .0007  .0023  .0003 -.0001  .0002 -.0001
FeM5b -.0377  .7450  .1024 .67  .90  .0008  .0025  .0004  .0000  .0002  .0000
MnM5b -.0377  .7450  .1024 .33  .90  .0008  .0025  .0004  .0000  .0002  .0000
FeM6a -.2092  .7012  .1502 .67  .88  .0009  .0026  .0003  .0002  .0001  .0000
MnM6a -.2092  .7012  .1502 .33  .88  .0009  .0026  .0003  .0002  .0001  .0000
FeM6b -.2976  .8035 -.1458 .67 1.27  .0011  .0046  .0004  .0006  .0001 -.0001
MnM6b -.2976  .8035 -.1458 .33 1.27  .0011  .0046  .0004  .0006  .0001 -.0001
FeM7a -.2848  .2129 -.1532 .67 1.01  .0009  .0033  .0004 -.0003  .0002  .0001
MnM7a -.2848  .2129 -.1532 .33 1.01  .0009  .0033  .0004 -.0003  .0002  .0001
FeM7b -.2221  .7054 -.3393 .67 1.09  .0010  .0036  .0004  .0005  .0002 -.0001
MnM7b -.2221  .7054 -.3393 .33 1.09  .0010  .0036  .0004  .0005  .0002 -.0001
Al    -.0045  .5031  .0013      .71  .0007  .0017  .0004  .0000  .0002  .0000
P1    -.1194 1.0128  .1338      .66  .0007  .0015  .0003  .0000  .0002  .0000
P1x   -.4217  .5041 -.1621      .92  .0010  .0021  .0005 -.0001  .0003  .0000
P2a   -.1356  .4645  .0762      .86  .0007  .0018  .0006 -.0002  .0003 -.0002
P2b    .1267  .5377 -.0747      .68  .0006  .0019  .0003  .0001  .0001  .0001
P3a   -.1296  .7542 -.0374      .77  .0006  .0022  .0003  .0003  .0002  .0001
P3b   -.3801  .7508  .0405      .63  .0006  .0016  .0003  .0000  .0001  .0000
P4a   -.1103  .2398 -.0474      .72  .0007  .0017  .0003 -.0002  .0002 -.0001
P4b    .0985  .7731  .0488      .68  .0006  .0014  .0004  .0001  .0001 -.0001
P5a    .1238  .7233  .2154      .69  .0007  .0016  .0003  .0000  .0001  .0000
P5b   -.1291  .2737 -.2100      .68  .0007  .0017  .0003 -.0001  .0001  .0000
P6a    .1388  .3009  .2107      .81  .0010  .0017  .0003  .0000  .0001 -.0001
P6b   -.1454  .6980 -.2001     1.15  .0009  .0017  .0007  .0001 -.0002 -.0003
O1a   -.4819  .4382 -.1317     1.11  .0010  .0030  .0006  .0000  .0005  .0002
O1b   -.0320  .0652  .1325      .98  .0007  .0023  .0006  .0000  .0003  .0002
O2a   -.3874  .6355 -.1311     1.09  .0013  .0021  .0006 -.0003  .0005 -.0004
O2b   -.1153  .8602  .1426     1.08  .0012  .0017  .0007 -.0001  .0004  .0003
O3     .3481  .5866  .1789     1.32  .0017  .0030  .0007  .0002  .0008 -.0001
O4    -.1849 1.0409  .0767     1.18  .0011  .0029  .0005  .0002 -.0001  .0002
O3x   -.4750  .5311 -.2242     1.86  .0014  .0080  .0005  .0002  .0002  .0003
O4x   -.3463  .4179 -.1645     1.38  .0014  .0024  .0010  .0001  .0008 -.0001
O5a   -.0526  .4438  .0582      .88  .0008  .0024  .0005 -.0004  .0003 -.0002
O5b    .0478  .5620 -.0529      .83  .0008  .0025  .0004  .0005  .0003  .0002
O6a   -.1303  .6004  .1058     1.32  .0012  .0022  .0010 -.0002  .0006 -.0003
O6b    .1173  .4060 -.1069     1.09  .0011  .0024  .0007 -.0003  .0005 -.0005
O7a   -.1317  .3445  .1176     1.68  .0015  .0034  .0012  .0007  .0010  .0009
O7b   -.3744  .1602 -.1129      .98  .0009  .0024  .0006  .0003  .0005  .0005
O8a   -.2143  .4450  .0267     2.13  .0008  .0079  .0010 -.0004  .0001 -.0010
O8b   -.2924 1.0399 -.0261     1.06  .0007  .0032  .0005  .0001  .0000  .0002
O9a   -.0870  .8364 -.0749     1.07  .0012  .0030  .0005  .0002  .0004  .0004
O9b   -.4189  .6715  .0812      .96  .0009  .0024  .0005  .0001  .0003  .0002
O10a  -.1005  .6077 -.0340      .91  .0009  .0023  .0004  .0002  .0001  .0000
O10b   .0905  .3974  .0372      .92  .0010  .0015  .0005  .0002  .0002  .0001
O11a  -.1093  .8196  .0224     1.05  .0012  .0031  .0004  .0004  .0002 -.0001
O11b  -.4021  .6837 -.0173     1.12  .0014  .0031  .0003  .0004  .0001 -.0002
O12a  -.2265  .7592 -.0599     1.20  .0006  .0040  .0006  .0005  .0001  .0003
O12b  -.2827  .7555  .0651     1.02  .0006  .0031  .0005 -.0001  .0001  .0003
O13a  -.0527  .3626 -.0482      .86  .0009  .0019  .0005 -.0006  .0003 -.0002
O13b   .0418  .6479  .0496      .82  .0010  .0019  .0004 -.0001  .0003 -.0001
O14a  -.0756  .1340 -.0813     1.04  .0012  .0021  .0005 -.0003  .0003 -.0004
O14b   .0627  .8754  .0834      .94  .0010  .0020  .0005 -.0001  .0002 -.0003
O15a  -.1006  .1897  .0133     1.15  .0016  .0027  .0004 -.0001  .0003  .0001
O15b   .0918  .8235 -.0110     1.25  .0018  .0030  .0003 -.0007  .0002  .0000
O16a  -.2031  .2734 -.0738     1.21  .0007  .0040  .0006  .0000  .0001 -.0001
O16b   .1898  .7361  .0788     1.23  .0007  .0033  .0006  .0002 -.0001 -.0003
O17a   .0421  .6713  .1749     1.15  .0009  .0032  .0005 -.0003 -.0001  .0001
O17b  -.0464  .3248 -.1700     1.17  .0009  .0030  .0006 -.0003  .0000  .0001
O18a   .1253  .3280 -.2254     1.22  .0014  .0033  .0004  .0002  .0003 -.0001
O18b  -.1328  .3307 -.2685     1.07  .0014  .0025  .0003 -.0003  .0000  .0002
O19a   .1298  .8781  .2132     1.41  .0020  .0020  .0005 -.0004  .0000  .0000
O19b  -.1332  .1187 -.2088     1.33  .0017  .0017  .0006 -.0006 -.0001  .0002
O20a   .1994  .6649  .1972     1.22  .0009  .0036  .0007  .0003  .0004 -.0001
O20b  -.2057  .3275 -.1901     1.18  .0009  .0039  .0005  .0002  .0003  .0000
O21a   .0550  .3501  .1717     1.24  .0010  .0033  .0005  .0004 -.0001 -.0001
O21b  -.0586  .6555 -.1632     1.19  .0009  .0028  .0006  .0004  .0000 -.0002
O22a   .1447  .6457 -.2299     1.54  .0020  .0040  .0004 -.0009  .0000  .0003
O22b  -.1558  .6368 -.2591     3.28  .0050  .0044  .0007  .0028 -.0011 -.0013
O23a   .1445  .1469  .2097     1.13  .0015  .0019  .0005  .0000  .0001  .0000
O23b  -.1544  .8517 -.2015     1.33  .0018  .0016  .0005  .0002 -.0002 -.0003
O24a   .2130  .3567  .1890     1.43  .0013  .0037  .0007 -.0004  .0002  .0004
O24b  -.2178  .6397 -.1765     2.31  .0009  .0033  .0021 -.0003  .0005  .0000
OW1   -.2342 1.0092 -.1390  .1 1.76  .0010  .0054  .0010  .0002  .0004 -.0003
FW1   -.2342 1.0092 -.1390  .9 1.76  .0010  .0054  .0010  .0002  .0004 -.0003
OW2   -.2750  .5005  .1423     1.51  .0009  .0038  .0010  .0000  .0002 -.0001
HW1    -.274  1.018  -.126  .1  .50
HW2    -.279   .498   .107     1.20
HO3x    .468   .469   .229     1.20
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Dickinsonite-(KMnNa)
Download hom/dickinsonitekmnna.pdf
Camara F, Oberti R, Chopin C, Medenbach O
Download am/vol91/AM91_1249.pdf
American Mineralogist 91 (2006) 1249-1259
The arrojadite enigma: I. A new formula and
a new model for the arrojadite structure
Sample: Branchville, Connecticut, USA
_database_code_amcsd 0004192
16.6900 10.1013 24.8752 90 105.616 90 Cc
atom        x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KA1     .0042  .5102 -.2399 .25  5.1  .0030  .0102  .0042  .0014  .0031  .0014
NaA1    .0042  .5102 -.2399 .25  5.1  .0030  .0102  .0042  .0014  .0031  .0014
KA1x   -.0556  .4931 -.3034 .25  3.6  .0036  .0096  .0010 -.0016 -.0004 -.0004
NaA1x  -.0556  .4931 -.3034 .25  3.6  .0036  .0096  .0010 -.0016 -.0004 -.0004
Na2     .1333  .5114  .1206      5.0  .0086  .0041  .0009  .0010 -.0017 -.0003
Na1    -.0030  .0014  .0018     2.38  .0027  .0036  .0009  .0006 -.0005  .0001
Ca     -.2337  .2176  .0193 .51 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Na     -.2337  .2176  .0193 .42 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Sr     -.2337  .2176  .0193 .05 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Pb     -.2337  .2176  .0193 .01 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Ba     -.2337  .2176  .0193 .01 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
NaB2   -.1254  .4886 -.1195  .2 1.96  .0029  .0033  .0005  .0007 -.0002  .0000
MnB1   -.2932  .5581 -.0420  .6 3.18  .0018  .0100  .0015  .0016  .0003  .0020
FeB1   -.2932  .5581 -.0420  .2 3.18  .0018  .0100  .0015  .0016  .0003  .0020
NaB1   -.2932  .5581 -.0420  .2 3.18  .0018  .0100  .0015  .0016  .0003  .0020
NaA2   -.0213  .1802  .2319  .5  3.0
NaA2x'  -.005   .130   .260  .5  4.0
Na3    -.5170  .6799 -.2640 .30  2.0
Na3x    -.483   .652  -.226 .30  6.0
MnM1   -.2291  .8826  .0218  .7  .73  .0004  .0021  .0004  .0001  .0002  .0001
LiM1   -.2291  .8826  .0218  .3  .73  .0004  .0021  .0004  .0001  .0002  .0001
MnM2a  -.2960  .4921 -.2274  .7 1.28  .0017  .0021  .0004  .0001 -.0001 -.0001
FeM2a  -.2960  .4921 -.2274  .3 1.28  .0017  .0021  .0004  .0001 -.0001 -.0001
MnM2b   .2839  .5029  .2338  .7 1.10  .0010  .0028  .0004  .0001  .0000 -.0001
FeM2b   .2839  .5029  .2338  .3 1.10  .0010  .0028  .0004  .0001  .0000 -.0001
MnM3a  -.1110 -.0130 -.1381  .7  .75  .0007  .0019  .0003  .0000  .0001 -.0001
FeM3a  -.1110 -.0130 -.1381  .3  .75  .0007  .0019  .0003  .0000  .0001 -.0001
MnM3b   .1024 1.0105  .1409  .7  .83  .0007  .0021  .0004  .0000  .0000  .0000
FeM3b   .1024 1.0105  .1409  .3  .83  .0007  .0021  .0004  .0000  .0000  .0000
MnM4a  -.0224  .2503  .0984  .7  .87  .0006  .0022  .0004  .0002  .0001  .0001
FeM4a  -.0224  .2503  .0984  .3  .87  .0006  .0022  .0004  .0002  .0001  .0001
MnM4b   .0207  .7529 -.0941  .7  .97  .0008  .0026  .0005  .0002  .0002  .0001
FeM4b   .0207  .7529 -.0941  .3  .97  .0008  .0026  .0005  .0002  .0002  .0001
MnM5a   .0297  .2514 -.0969  .7  .73  .0005  .0023  .0003  .0000  .0000  .0000
FeM5a   .0297  .2514 -.0969  .3  .73  .0005  .0023  .0003  .0000  .0000  .0000
MnM5b  -.0371  .7395  .1006  .7 1.04  .0007  .0034  .0004  .0000  .0001  .0001
FeM5b  -.0371  .7395  .1006  .3 1.04  .0007  .0034  .0004  .0000  .0001  .0001
MnM6a  -.2096  .6948  .1498  .7  .91  .0008  .0029  .0003  .0000  .0001  .0000
FeM6a  -.2096  .6948  .1498  .3  .91  .0008  .0029  .0003  .0000  .0001  .0000
MnM6b  -.2964  .8012 -.1463  .7 1.19  .0012  .0035  .0004  .0002  .0001 -.0001
FeM6b  -.2964  .8012 -.1463  .3 1.19  .0012  .0035  .0004  .0002  .0001 -.0001
MnM7a  -.2832  .2108 -.1525  .7  .90  .0007  .0027  .0004 -.0002  .0001  .0001
FeM7a  -.2832  .2108 -.1525  .3  .90  .0007  .0027  .0004 -.0002  .0001  .0001
MnM7b  -.2260  .7013 -.3403  .7 1.18  .0010  .0040  .0003  .0006  .0001 -.0001
FeM7b  -.2260  .7013 -.3403  .3 1.18  .0010  .0040  .0003  .0006  .0001 -.0001
Al     -.0043  .4983  .0017      .54  .0004  .0017  .0002  .0000  .0001  .0000
P1     -.1196 1.0072  .1330      .64  .0005  .0020  .0003 -.0002  .0001 -.0001
P1x    -.4175  .5017 -.1591     1.27  .0014  .0028  .0007 -.0005  .0006 -.0002
P2a    -.1337  .4621  .0772      .77  .0006  .0021  .0004 -.0001  .0002  .0000
P2b     .1245  .5298 -.0753      .66  .0004  .0021  .0003  .0001  .0001  .0000
P3a    -.1278  .7478 -.0363      .64  .0005  .0020  .0003  .0000  .0001  .0000
P3b    -.3796  .7472  .0395      .72  .0005  .0020  .0003  .0000  .0001  .0001
P4a    -.1072  .2348 -.0449      .67  .0005  .0018  .0003 -.0001  .0000  .0000
P4b     .0998  .7654  .0486      .73  .0006  .0020  .0003  .0000  .0001 -.0001
P5a     .1281  .7207  .2140      .82  .0007  .0023  .0003  .0000  .0000  .0001
P5b    -.1321  .2795 -.2091      .73  .0007  .0017  .0003  .0001  .0000  .0000
P6a     .1432  .2942  .2073      .89  .0008  .0022  .0003  .0002 -.0001 -.0001
P6b    -.1475  .7043 -.2018      .89  .0010  .0018  .0003  .0002 -.0001 -.0001
O1a    -.4781  .4384 -.1297     1.41  .0008  .0028  .0011  .0000  .0006  .0003
O1b    -.0326  .0608  .1336     1.19  .0009  .0030  .0006 -.0001  .0002  .0002
O2a    -.3905  .6375 -.1322     1.08  .0010  .0027  .0005 -.0002  .0004 -.0004
O2b    -.1136  .8558  .1413     1.29  .0015  .0020  .0007 -.0005  .0004  .0001
O3      .3529  .5749  .1802     1.45  .0015  .0042  .0006 -.0007  .0005 -.0007
O4     -.1832 1.0377  .0775     1.27  .0009  .0031  .0006  .0000 -.0001  .0000
O3x    -.4601  .5135 -.2214      5.3  .0070  .0174  .0005 -.0068  .0006 -.0009
O4x    -.3402  .4199 -.1549      4.4  .0034  .0033  .0045  .0010  .0033  .0002
O5a    -.0537  .4435  .0578      .86  .0007  .0022  .0005 -.0002  .0003 -.0001
O5b     .0465  .5523 -.0538      .98  .0008  .0031  .0004  .0002  .0003  .0000
O6a    -.1262  .5938  .1078     1.15  .0009  .0025  .0008 -.0002  .0007 -.0001
O6b     .1159  .3990 -.1066     1.07  .0010  .0019  .0007 -.0001  .0003 -.0003
O7a    -.1309  .3414  .1162     1.18  .0009  .0031  .0006  .0004  .0003  .0004
O7b    -.3769  .1494 -.1137     1.03  .0008  .0026  .0006  .0002  .0004  .0004
O8a    -.2128  .4503  .0298     1.59  .0005  .0070  .0005  .0000 -.0001  .0002
O8b    -.2955 1.0319 -.0278     1.30  .0008  .0042  .0005 -.0001  .0000  .0000
O9a    -.0829  .8341 -.0694     1.08  .0007  .0032  .0006  .0003  .0002  .0001
O9b    -.4190  .6636  .0771     1.08  .0011  .0030  .0005  .0001  .0003  .0005
O10a   -.0984  .6045 -.0352     1.06  .0008  .0028  .0005  .0001  .0001  .0000
O10b    .0896  .3905  .0374      .98  .0008  .0020  .0005  .0003  .0001  .0001
O11a   -.1102  .8063  .0232     1.27  .0011  .0037  .0005  .0007  .0003  .0000
O11b   -.3987  .6854 -.0179     1.14  .0012  .0037  .0002  .0005  .0000 -.0002
O12a   -.2228  .7542 -.0600     1.21  .0007  .0035  .0006 -.0002  .0000  .0000
O12b   -.2841  .7514  .0645     1.09  .0003  .0036  .0006  .0003  .0001  .0005
O13a   -.0528  .3576 -.0465      .81  .0007  .0021  .0004 -.0005  .0001  .0001
O13b    .0440  .6416  .0491      .86  .0008  .0018  .0005 -.0001  .0002 -.0001
O14a   -.0707  .1316 -.0771     1.08  .0009  .0026  .0005  .0001  .0002 -.0004
O14b    .0615  .8697  .0794     1.01  .0009  .0022  .0005 -.0001  .0002 -.0002
O15a   -.0970  .1878  .0149     1.15  .0014  .0028  .0004 -.0004  .0003  .0001
O15b    .0988  .8119 -.0097     1.34  .0017  .0038  .0003 -.0011  .0002  .0000
O16a   -.1988  .2629 -.0709     1.29  .0006  .0045  .0005  .0001 -.0001 -.0003
O16b    .1895  .7324  .0808     1.43  .0006  .0038  .0008  .0003 -.0002 -.0002
O17a    .0444  .6825  .1745     1.36  .0010  .0043  .0004 -.0001 -.0001  .0001
O17b   -.0504  .3223 -.1678     1.33  .0007  .0046  .0005 -.0002 -.0001  .0001
O18a    .1286  .3177 -.2271     1.49  .0016  .0043  .0006  .0002  .0005 -.0001
O18b   -.1330  .3264 -.2675     1.16  .0011  .0040  .0002 -.0004 -.0001  .0001
O19a    .1427  .8705  .2097     1.79  .0024  .0028  .0006 -.0002 -.0002  .0002
O19b   -.1390  .1271 -.2081     1.35  .0016  .0020  .0005 -.0002 -.0001  .0000
O20a    .1984  .6513  .1960     1.29  .0008  .0041  .0006  .0005  .0003  .0000
O20b   -.2049  .3417 -.1901     1.15  .0009  .0033  .0005 -.0001  .0003  .0000
O21a    .0584  .3362  .1706     1.81  .0012  .0050  .0007  .0011 -.0004 -.0004
O21b   -.0637  .6622 -.1628     1.28  .0010  .0035  .0005  .0004 -.0001 -.0002
O22a    .1579  .6486 -.2346      2.5  .0031  .0073  .0003 -.0027 -.0004  .0007
O22b   -.1528  .6528 -.2599      2.6  .0039  .0054  .0004  .0029 -.0003 -.0007
O23a    .1476  .1416  .2088     1.23  .0013  .0023  .0005  .0000  .0000 -.0001
O23b   -.1538  .8562 -.2035     1.19  .0014  .0020  .0005  .0001  .0000  .0001
O24a    .2129  .3461  .1820     1.59  .0016  .0032  .0008 -.0005  .0002  .0001
O24b   -.2192  .6485 -.1798     1.62  .0009  .0030  .0011 -.0005  .0001  .0003
OW1    -.2356 1.0006 -.1337 .97 1.21  .0011  .0034  .0005  .0000  .0003  .0001
FW1    -.2356 1.0006 -.1337 .03 1.21  .0011  .0034  .0005  .0000  .0003  .0001
OW2    -.2721  .5008  .1358      .95  .0006  .0030  .0004  .0001  .0001  .0000
HW1     -.228   .986  -.100 .97 1.20
HW2     -.273   .479   .094     1.20
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View JMOL 3-D Structure (permalink)
 
Vishnevite
Download hom/vishnevite.pdf
Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M
Download am/vol92/AM92_713.pdf
American Mineralogist 92 (2007) 713-721
Single-crystal FTIR and X-ray study of vishnevite, ideally
[Na6(SO4)][Na2(H2O)2](Si6Al6O24)
Locality: Latium, Italy
Sample: Pi4
_database_code_amcsd 0004320
12.7228 12.7228 5.1980 90 90 120 P6_3
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    2/3   1/3 .1333 .83 .034   .019   .019   .064   .010      0      0
Na2  .1141 .2258 .2940 .35 .024   .017   .039   .023   .020  -.004  -.005
K    .1458 .2894 .2893 .43 .042   .038   .065   .032   .034  -.003  -.006
Al   .3384 .4144 .7570     .009   .009   .010   .008   .006   .000   .001
Si   .0834 .4134 .7562     .008   .008   .009   .008   .005   .000   .001
S        0     0 .2918 .29 .045   .040   .040   .057   .020      0      0
O1   .2019 .4044 .6799     .017   .010   .026   .018   .011   .002   .000
O2   .1192 .5535 .7332     .023   .022   .014   .035   .011   .006   .004
O3   .0386 .3599 .0419     .018   .014   .027   .011   .011   .002   .004
O4   .3279 .3527 .0597     .017   .021   .024   .011   .015  -.001   .005
O51  .0615 .1133 .6725 .22 .150
O52  .0496 .1090 .9541 .25 .139
O6   .6184 .3043 .6893 .33 .062
O7       0     0 .0737 .22 .068
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gadolinite-(Y)
Download hom/gadolinitey.pdf
Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F
Download am/vol93/AM93_996.pdf
American Mineralogist 93 (2008) 996-1004
The crystal chemistry of Li in gadolinite
Locality: Vico lake, Latium, Italy
_database_code_amcsd 0004599
4.7708 7.6229 9.8975 90 90.017 90 P2_1/c
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA   .9958 .1068 .3309  .40  .009   .008   .009   .008   .001  -.001   .000
YA    .9958 .1068 .3309  .19  .009   .008   .009   .008   .001  -.001   .000
LaA   .9958 .1068 .3309  .03  .009   .008   .009   .008   .001  -.001   .000
CeA   .9958 .1068 .3309  .12  .009   .008   .009   .008   .001  -.001   .000
PrA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
NdA   .9958 .1068 .3309  .08  .009   .008   .009   .008   .001  -.001   .000
SmA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
EuA   .9958 .1068 .3309  .00  .009   .008   .009   .008   .001  -.001   .000
GdA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
DyA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
ErA   .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
YbA   .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
ThA   .9958 .1068 .3309  .07  .009   .008   .009   .008   .001  -.001   .000
UA    .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
Fe2+X     0     0     0  .50  .007   .006   .008   .007   .001  -.001   .001
LiX       0     0     0  .23  .007   .006   .008   .007   .001  -.001   .001
Fe3+X     0     0     0  .21  .007   .006   .008   .007   .001  -.001   .001
MnX       0     0     0  .03  .007   .006   .008   .007   .001  -.001   .001
MgX       0     0     0  .02  .007   .006   .008   .007   .001  -.001   .001
SiZ   .5462 .4106 .3384  .50  .006   .005   .006   .006  -.001  -.001   .000
BeZ   .5462 .4106 .3384  .27  .006   .005   .006   .006  -.001  -.001   .000
BZ    .5462 .4106 .3384  .20  .006   .005   .006   .006  -.001  -.001   .000
LiZ   .5462 .4106 .3384  .03  .006   .005   .006   .006  -.001  -.001   .000
SiT   .4765 .2704 .0813  .50  .006   .007   .006   .006  -.001   .000   .000
BeT   .4765 .2704 .0813  .27  .006   .007   .006   .006  -.001   .000   .000
BT    .4765 .2704 .0813  .20  .006   .007   .006   .006  -.001   .000   .000
LiT   .4765 .2704 .0813  .03  .006   .007   .006   .006  -.001   .000   .000
O1    .2408 .4052 .0343       .010   .008   .013   .010   .001   .000   .001
O2    .6723 .2924 .4542       .011   .013   .009   .012   .000   .005   .001
O3    .6834 .3401 .2024       .012   .013   .013   .010  -.003  -.002   .000
O4    .3173 .0968 .1432       .011   .015   .009   .008  -.005   .003   .001
O5    .2270 .4105 .3350       .011   .010   .013   .010   .001   .000   .000
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View JMOL 3-D Structure (permalink)
 
Aluminocerite-(Ce)
 
Nestola F, Guastoni A, Camara F, Secco L, Dal Negro A, Pedron D, Beran A
Download am/vol94/AM94_487.pdf
American Mineralogist 94 (2009) 487-493
Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and
crystal-structure determination
Locality: Ratti quarry, Baveno, Italy
_database_code_amcsd 0004896
10.645 10.645 38.019 90 90 120 R3c
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1    .25920 .13369 .06808  .34 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Nd1    .25920 .13369 .06808  .38 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Pr1    .25920 .13369 .06808  .14 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Sm1    .25920 .13369 .06808  .05 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Gd1    .25920 .13369 .06808  .02 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Dy1    .25920 .13369 .06808  .01 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Yb1    .25920 .13369 .06808 .003 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Ce2    .14123  .2582 .43098  .55 .0224  .0212  .0248  .0227  .0125  .0022  .0049
La2    .14123  .2582 .43098  .24 .0224  .0212  .0248  .0227  .0125  .0022  .0049
Ca2    .14123  .2582 .43098  .20 .0224  .0212  .0248  .0227  .0125  .0022  .0049
Ca3     .2572  .1337  .1759  .57 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
La3     .2572  .1337  .1759  .21 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
Ce3     .2572  .1337  .1759  .18 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
Si1     .3167  .1467 .36201      .0234   .024   .023   .021   .010  -.002   .000
Si2     .1499  .3268  .1372      .0231   .026   .018   .024   .010   .003   .007
Si3         0      0  .2531       .027   .022   .022   .036  .0109      0      0
AlM1        0      0 -.0014  .61  .026   .027   .027   .024  .0136      0      0
Fe3+M1      0      0 -.0014  .39  .026   .027   .027   .024  .0136      0      0
OH1      .256   .090  .3228       .035   .028   .046   .022   .012  -.005  -.002
O2       .277  .0044  .3854       .025   .032   .012   .033   .011   .001  -.008
O3       .265   .250  .3782       .034   .036   .030   .039   .019   .005   .003
O4       .083  .1684  .0297       .029   .051   .012   .024   .015   .006   .005
O5       .244   .268  .1158       .037   .030   .028   .046   .010   .009   .002
O6      -.018   .269  .1227       .035   .037   .036   .038   .024  -.005  -.001
O7      .1637  .0719  .4679       .027   .014   .013   .053   .006   .006   .007
O8       .142  .2790  .1783       .024   .017   .016   .033   .004   .001  -.003
O9      .1626   .038  .2404       .050   .046   .044   .043   .010  -.017  -.011
OH10        0      0  .2972       .024   .012   .012   .047   .006      0      0
OH11        0      0  .0921       .029   .004   .004    .08   .002      0      0
OH12        0      0  .1607       .018   .011   .011   .033   .006      0      0
OH13        0      0  .4096       .056   .073   .073   .021   .037      0      0
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.0001 GPa (P-AIR)
_database_code_amcsd 0019024
12.5976 12.5976 5.1168 90 90 120 P6_3
atom      x      y     z  occ  Uiso
Si   .08267 .41096 .7338      .0090
Al   .33709 .41224 .7342      .0087
O1    .2014  .4043 .6419      .0155
O2    .1145  .5507 .7109      .0198
O3    .0443  .3588 .0276      .0164
O4    .3212  .3508 .0442      .0148
Na1     2/3    1/3 .1159 .960 .0294
Na2   .8742  .7516 .7764 .854 .0287
Ca    .8742  .7516 .7764 .146 .0287
C1        0      0  .914 .421  .048
OC1   .0562  .1184  .888 .421  .052
C2        0      0  .649 .459  .021
OC2   .0639  .1196  .664 .459  .030
Wat    .315  .6171  .171  1/3  .048
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.0001 GPa (P-DAC)
_database_code_amcsd 0019025
12.620 12.620 5.083 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0824 .4106 .7244      .0082
Al   .3372 .4126 .7231      .0087
O1   .2007 .4027  .634       .013
O2   .1140 .5520  .698       .019
O3   .0462 .3590  .020       .012
O4   .3199 .3517  .036       .007
Na1    2/3   1/3  .108 .960  .038
Na2  .8746 .7519 .7673 .854  .027
Ca   .8746 .7519 .7673 .146  .027
C1       0     0   .91 .421  .006
OC1   .058 .1182  .881 .421  .038
C2       0     0  .652 .459  .006
OC2   .062 .1190  .662 .459  .038
Wat   .316  .617  .173  1/3  .039
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.76 GPa
_database_code_amcsd 0019026
12.580 12.580 5.058 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0828 .4112 .7347      .0095
Al   .3373 .4126 .7348      .0111
O1   .2009 .4022  .639       .015
O2   .1175 .5542  .704       .019
O3   .0491 .3632  .034       .014
O4   .3212 .3540  .048       .010
Na1    2/3   1/3  .112 .960  .041
Na2  .8754 .7517 .7779 .854  .032
Ca   .8754 .7517 .7779 .146  .032
C1       0     0   .90 .421   .04
OC1   .061 .1190  .883 .421  .048
C2       0     0  .672 .459   .04
OC2   .062 .1193  .672 .459  .048
Wat   .306  .613  .181  1/3  .054
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.99 GPa
_database_code_amcsd 0019027
12.530 12.530 5.072 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0826 .4108 .7376      .0139
Al   .3374 .4121 .7389      .0133
O1   .2000 .4017  .644       .020
O2   .1163 .5513  .707       .020
O3   .0457 .3588  .034       .015
O4   .3191 .3512  .053       .017
Na1    2/3   1/3  .115 .960  .036
Na2  .8733 .7497 .7820 .854  .032
Ca   .8733 .7497 .7820 .146  .032
C1       0     0   .91 .421   .05
OC1   .056  .119  .864 .421  .069
C2       0     0   .66 .459   .05
OC2   .063 .1200  .657 .459  .069
Wat   .309  .608  .173  1/3   .05
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 1.39 GPa
_database_code_amcsd 0019028
12.514 12.514 5.034 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0829 .4109 .7342      .0105
Al   .3372 .4121 .7356      .0112
O1   .2004 .4006  .635       .017
O2   .1180 .5533  .702       .022
O3   .0484 .3620  .035       .013
O4   .3183 .3535  .054       .015
Na1    2/3   1/3  .110 .960  .040
Na2  .8743 .7508 .7784 .854  .032
Ca   .8743 .7508 .7784 .146  .032
C1       0     0   .90 .421  .028
OC1   .058 .1200  .886 .421  .052
C2       0     0  .671 .459  .028
OC2   .063 .1203  .671 .459  .052
Wat   .305  .614  .178  1/3  .056
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 2.33 GPa
_database_code_amcsd 0019029
12.447 12.447 5.006 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0829 .4111 .7340      .0103
Al   .3369 .4123 .7357      .0092
O1   .2004 .4010  .634       .016
O2   .1174 .5525  .699       .021
O3   .0494 .3629 .0390       .014
O4   .3181 .3529  .058       .016
Na1    2/3   1/3  .107 .960  .042
Na2  .8749 .7524 .7792 .854 .0283
Ca   .8749 .7524 .7792 .146 .0283
C1       0     0   .90 .421  .032
OC1   .052 .1193  .870 .421  .053
C2       0     0  .655 .459  .032
OC2   .067 .1198  .672 .459  .053
Wat   .319  .617  .176  1/3  .047
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 3.59 GPa
_database_code_amcsd 0019030
12.386 12.386 4.954 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0831 .4112 .7360      .0101
Al   .3367 .4124 .7393      .0105
O1   .1988 .3977  .631       .017
O2   .1232 .5556  .697       .020
O3   .0529 .3664  .047       .014
O4   .3189 .3581  .062       .015
Na1    2/3   1/3  .100 .960  .038
Na2  .8755 .7523 .7785 .854  .028
Ca   .8755 .7523 .7785 .146  .028
C1       0     0   .91 .421   .05
OC1   .066  .119  .860 .421  .054
C2       0     0  .686 .459   .05
OC2   .057 .1210  .664 .459  .054
Wat   .308  .615  .159  1/3  .031
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 4.30 GPa
_database_code_amcsd 0019031
12.347 12.347 4.935 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0835 .4111 .7345      .0120
Al   .3369 .4126 .7366      .0125
O1   .1981 .3957  .628       .019
O2   .1243 .5566  .691       .020
O3   .0539 .3675  .046       .015
O4   .3181 .3579  .063       .017
Na1    2/3   1/3  .095 .960  .040
Na2  .8754 .7523 .7756 .854 .0291
Ca   .8754 .7523 .7756 .146 .0291
C1       0     0   .90 .421  .026
OC1   .055 .1204  .867 .421  .053
C2       0     0  .682 .459  .026
OC2   .067 .1216  .669 .459  .053
Wat   .311  .617  .155  1/3  .031
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 5.00 GPa
_database_code_amcsd 0019032
12.322 12.322 4.905 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0841 .4116 .7369      .0127
Al   .3372 .4131 .7384      .0123
O1   .1984 .3978  .626       .016
O2   .1235 .5554  .691       .024
O3   .0546 .3666  .048       .014
O4   .3182 .3584  .067       .017
Na1    2/3   1/3  .094 .960  .039
Na2  .8757 .7527 .7795 .854 .0276
Ca   .8757 .7527 .7795 .146 .0276
C1       0     0  .918 .421  .025
OC1   .054  .118  .857 .421  .050
C2       0     0  .659 .459  .025
OC2   .065 .1218  .665 .459  .050
Wat   .314  .614  .151  1/3  .045
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 5.73 GPa
_database_code_amcsd 0019033
12.278 12.278 4.876 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0839 .4118 .7377      .0123
O2   .1259 .5560  .686       .027
Al   .3377 .4137 .7415      .0131
O1   .1955 .3916  .625       .020
O3   .0574 .3702  .058       .014
O4   .3196 .3617  .072       .017
Na1    2/3   1/3  .085 .960  .049
Na2  .8760 .7531 .7764 .854  .030
Ca   .8760 .7531 .7764 .146  .030
C1       0     0   .90 .421  .024
OC1   .060  .121  .855 .421  .047
C2       0     0   .67 .459  .024
OC2   .064 .1226  .668 .459  .047
Wat   .308  .614  .151  1/3  .048
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 6.16 GPa
_database_code_amcsd 0019034
12.266 12.266 4.864 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0842 .4119 .7387      .0130
Al   .3375 .4139 .7405      .0125
O1   .1960 .3931  .627       .020
O2   .1267 .5590  .686       .027
O3   .0578 .3721  .055       .014
O4   .3193 .3613  .070       .017
Na1    2/3   1/3  .084 .960  .047
Na2  .8761 .7530 .7774 .854  .031
Ca   .8761 .7530 .7774 .146  .031
C1       0     0   .92 .421  .016
OC1   .060  .119  .853 .421  .045
C2       0     0  .676 .459  .016
OC2   .062 .1228  .666 .459  .045
Wat   .311  .614  .146  1/3  .048
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 6.63 GPa
_database_code_amcsd 0019035
12.240 12.240 4.843 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0841 .4123 .7392      .0126
Al   .3373 .4142 .7424      .0137
O1   .1959 .3910  .626       .022
O2   .1302 .5576  .687       .027
O3   .0572 .3721  .061       .018
O4   .3199 .3620  .073       .019
Na1    2/3   1/3  .077 .960  .065
Na2  .8762 .7527 .7758 .854  .034
Ca   .8762 .7527 .7758 .146  .034
C1       0     0   .90 .421  .031
OC1   .061  .121  .854 .421  .055
C2       0     0  .684 .459  .031
OC2   .062 .1225  .661 .459  .055
Wat   .308  .615  .141  1/3  .045
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = .0001 GPa
_database_code_amcsd 0019070
16.2004 5.5529 10.0423 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41075   .75 .2828 .0067
Si2  .08147   .25 .1061 .0070
Si3  .16030   .25 .4355 .0056
Al12 .24952 .9971 .1895 .0066
Al3  .10596   .75 .3005 .0073
Ca1  .36666   .25 .4375 .0109
Ca2  .45185   .25 .1150 .0104
O1    .1305 .9998 .1465 .0094
O2    .1014 .0132 .4302 .0087
O3    .3591 .9917 .2452 .0079
O4    .2190   .75 .3014 .0077
O5    .2277   .25 .3122 .0087
O6    .2718   .75 .0600 .0083
O7    .9910   .25 .1647 .0103
O8    .9969   .75 .2938 .0095
O9    .4202   .75 .4429 .0190
OH10  .2677   .25 .0743 .0099
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Zoisite
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Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 7.766 GPa
_database_code_amcsd 0019071
16.0271 5.4473 9.8119 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41043   .75 .2788 .0114
Si2  .07990   .25 .1048 .0108
Si3  .16003   .25 .4353 .0114
Al12 .24854 .9985 .1865 .0112
Al3   .1053   .75 .2999 .0101
Ca1  .36508   .25 .4353 .0147
Ca2  .45543   .25 .1094 .0111
O1    .1278 .9933 .1466 .0137
O2    .1015 .0116 .4328 .0148
O3    .3586 .9958 .2390 .0144
O4    .2191   .75 .3038 .0095
O5    .2275   .25 .3113 .0111
O6    .2690   .75 .0576 .0106
O7    .9899   .25 .1712 .0177
O8    .9947   .75 .3050 .0164
O9    .4204   .75 .4420  .031
OH10  .2605   .25 .0646 .0112
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 5.145 GPa
_database_code_amcsd 0019072
16.0845 5.477 9.8785 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41005   .75 .2794 .0113
Si2  .08054   .25 .1054 .0097
Si3  .16001   .25 .4350 .0095
Al12 .24907 .9983 .1875 .0100
Al3  .10516   .75 .3000 .0091
Ca1  .36545   .25 .4363 .0137
Ca2  .45426   .25 .1113 .0112
O1    .1280 .9931 .1478 .0131
O2    .1012 .0140 .4320 .0148
O3    .3588 .9948 .2409 .0137
O4    .2198   .75 .3036 .0093
O5    .2277   .25 .3119 .0100
O6    .2708   .75 .0579 .0077
O7    .9905   .25 .1683 .0178
O8    .9955   .75 .3013 .0117
O9    .4208   .75 .4424  .028
OH10  .2613   .25 .0666 .0101
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 1.144 GPa
_database_code_amcsd 0019073
16.1760 5.5342 10.0007 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41099   .75 .2821 .0060
Si2  .08098   .25 .1059 .0065
Si3  .16030   .25 .4349 .0061
Al12 .24938 .9978 .1895 .0059
Al3  .10568   .75 .3000 .0068
Ca1  .36624   .25 .4370 .0099
Ca2  .45266   .25 .1139 .0084
O1    .1302 .9969 .1465 .0089
O2    .1013 .0139 .4297 .0097
O3    .3588 .9913 .2443 .0068
O4    .2183   .75 .3011 .0083
O5    .2274   .25 .3115 .0057
O6    .2714   .75 .0596 .0064
O7    .9909   .25 .1653 .0091
O8    .9967   .75 .2965 .0094
O9    .4200   .75 .4446 .0205
OH10  .2668   .25 .0725 .0101
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 2.945 GPa
_database_code_amcsd 0019074
16.1353 5.5062 9.9432 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41048   .75 .2808 .0103
Si2  .08073   .25 .1057 .0101
Si3  .16006   .25 .4354 .0096
Al12 .24930 .9976 .1888 .0098
Al3  .10561   .75 .2994 .0108
Ca1  .36599   .25 .4365 .0140
Ca2  .45335   .25 .1127 .0122
O1    .1291 .9951 .1475 .0116
O2    .1015 .0147 .4311 .0131
O3    .3591 .9912 .2428 .0115
O4    .2191   .75 .3029 .0102
O5    .2275   .25 .3115 .0097
O6    .2701   .75 .0584 .0103
O7    .9903   .25 .1662 .0141
O8    .9962   .75 .2988 .0135
O9    .4215   .75 .4429 .0237
OH10  .2644   .25 .0710 .0142
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 4.025 GPa
_database_code_amcsd 0019075
16.1124 5.4917 9.9110 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41046   .75 .2798 .0108
Si2  .08033   .25 .1059 .0117
Si3  .15964   .25 .4349 .0111
Al12 .24907 .9975 .1882 .0104
Al3  .10572   .75 .3002 .0113
Ca1  .36572   .25 .4360 .0145
Ca2  .45397   .25 .1118 .0125
O1    .1288 .9951 .1471 .0111
O2    .1005 .0146 .4314 .0125
O3    .3591 .9927 .2430 .0110
O4    .2187   .75 .3040 .0131
O5    .2269   .25 .3123 .0110
O6    .2702   .75 .0596 .0098
O7    .9907   .25 .1665 .0144
O8    .9962   .75 .2999 .0130
O9    .4217   .75 .4422  .025
OH10  .2633   .25 .0679 .0141
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 5.533 GPa
_database_code_amcsd 0019076
16.0796 5.4721 9.8690 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41022   .75 .2793 .0115
Si2  .08008   .25 .1059 .0101
Si3  .16003   .25 .4350 .0105
Al12 .24889 .9986 .1878 .0106
Al3  .10544   .75 .2989 .0109
Ca1  .36554   .25 .4359 .0137
Ca2  .45466   .25 .1109 .0117
O1    .1284 .9929 .1469 .0111
O2    .1013 .0123 .4313 .0132
O3    .3579 .9945 .2406 .0123
O4    .2189   .75 .3020 .0084
O5    .2273   .25 .3109 .0084
O6    .2693   .75 .0588 .0105
O7    .9892   .25 .1676 .0171
O8    .9961   .75 .3018 .0126
O9    .4201   .75 .4418  .027
OH10  .2620   .25 .0667 .0141
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Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 6.511 GPa
_database_code_amcsd 0019077
16.0539 5.4609 9.8437 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41022   .75 .2796 .0108
Si2  .08005   .25 .1058 .0119
Si3  .15990   .25 .4356 .0096
Al12 .24902 .9989 .1873 .0109
Al3  .10533   .75 .2993 .0113
Ca1  .36544   .25 .4359 .0141
Ca2  .45481   .25 .1103 .0128
O1    .1280 .9936 .1472 .0122
O2    .1009 .0128 .4321 .0128
O3    .3584 .9940 .2411 .0113
O4    .2194   .75 .3033 .0155
O5    .2267   .25 .3110 .0072
O6    .2702   .75 .0575 .0121
O7    .9893   .25 .1666 .0185
O8    .9953   .75 .3024 .0142
O9    .4207   .75 .4431  .028
OH10  .2621   .25 .0660 .0125
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Kircherite
 
Camara F, Bellatreccia F, Della Ventura G, Gunter M E, Sebastiani M, Cavallo A
 
American Mineralogist 97 (2012) 1494-1504
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
stacking sequence: Occurrence and crystal structure
Locality: Valle Biachella, Sacrofano community (Rome, Latium, Italy)
_database_code_amcsd 0019258
12.8770 12.8770 95.244 90 90 120 R32
atom       x       y       z   occ  Uiso
K1    .21935  .78244 .026734       .0316
Na1        0       0       0       .0620
Na2A       0  .49632       0  .616 .0281
Ca2B       0  .49632       0  .384 .0281
Ca3      2/3     1/3 .035016 1.009 .0283
Na4A   .4865  .97775 .055175  .771 .0383
Ca4B   .4865  .97775 .055175  .229 .0383
Na5A       0       0  .06575  .720  .051
Ca5B       0       0  .05922  .280  .051
Na6A   .3399   .1714  .08322  .644 .0451
K6B    .4289   .2173  .07941  .249 .0451
Na6B   .2762   .1439  .08739  .193 .0451
Na7A     1/3     2/3  .08904   .05 .0354
Ca7B     1/3     2/3  .08904   .95 .0354
Na8A     2/3     1/3  .10234  .452  .055
Na8B     2/3     1/3   .1135   .08  .055
Na8C     2/3     1/3  .12063   .68  .055
K9A    .1242   .2467  .10791  .236 .0544
Na9A   .1591   .3183  .11131  .630 .0544
Na9B   .2035   .4025  .11546  .203 .0544
Na1C       0       0  .13014   .53  .065
Na1D       0       0   .1396   .18  .065
Na1E       0       0  .14781   .50  .065
Na1F   .4939   .9927  .13870   .23  .016
K1G    .4686    .930  .13597  .411  .117
Na1G   .5223  1.0488   .1413  .367  .117
Na1K     1/3     2/3  .15719  .516  .044
K1L    .2474   .1287  .17056  .210 .0575
Na1L     1/3   .1667     1/6  .580 .0575
Si1   .25209       0       0       .0153
Si2   .92141  .58468 .028745       .0138
Si3   .25017 -.00038 .056598       .0153
Si4   .33285  .41471 .084480       .0165
Si5   .41674  .08479 .112132       .0176
Si6   .24895  .24891 .139370       .0180
Si7      1/3  .91414     1/6       .0189
Al1        0  .74422       0       .0150
Al2   .40708  .08485 .028747       .0155
Al3   .25229  .25532 .056187       .0151
Al4   .33367  .91923 .084777       .0184
Al5   .41672  .33299 .111910       .0179
Al6   .24778 -.00033 .139511       .0206
Al7   .58118  .91451     1/6       .0189
O1     .1218   .8853  .00247       .0257
O2     .3374   .0159  .01327       .0216
O3     .9782   .6459  .01398       .0265
O4     .7830   .5489  .03041       .0241
O5     .5400   .0786  .02974       .0273
O6     .0006   .6698  .04121       .0293
O7     .3192  -.0016  .04249       .0270
O8     .1132   .8975  .05576       .0284
O9     .2539   .1258  .05938       .0286
O10    .3256   .9846  .06921       .0336
O11    .3276   .3547  .06976       .0379
O12    .4495   .8905  .08400       .0354
O13    .2192   .4260  .08817       .0368
O14    .3496   .3371  .09634       .0413
O15    .3505   .0155  .09803       .0561
O16    .4517   .2220  .11056       .0530
O17    .5372   .0802  .11528       .0554
O18    .3335   .0189  .12516        .077
O19    .3153   .3075  .12514       .0612
O20    .1171   .2216  .13723       .0691
O21    .2402   .1267  .14278       .0774
O22    .6607   .9789  .15169        .086
O23    .3132   .9767  .15362        .088
O24    .4455   .8978  .16380        .093
Wat25      0       0  .02844   .94  .148
S1       1/3     2/3  .00351       .0270
O1SA     2/3     1/3  .01182       .0530
O1SB   .2093   .6027  .00861       .0464
S2       1/3     2/3  .05032       .0313
O2SA     1/3     2/3  .06586       .0553
O2SB   .2101   .6033  .04503       .0553
S3     .6293   .2982  .06703  .307 .0616
O3SA   .5436   .2755  .07575  .158 .0553
O3SB   .6010   .2033  .05750  .142 .0553
S4     -.005  -.0256  .09660  .300  .088
O4SA   .0632  -.0619   .1048  .169 .0553
O4SB  -.0589  -.1188   .0872  .135 .0553
S5     .3110   .6776  .12342  .229 .0473
O5SA    .394   .7873   .1326  .151 .0553
O5SB   .2726   .7297   .1137  .119 .0553
S6     .7000   .3668  .15261   .94  .060
O6SA   .7945   .3943   .1438  .307 .0553
O6SB   .7271   .4598   .1613  .158 .0553
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Witzkeite
 
Nestola F, Camara F, Chukanov N V, Atencio D,
Coutinho J M V, Contreira R R, Farber G
 
American Mineralogist 97 (2012) 1783-1787
Witzkeite: A new rare nitrate-sulphate mineral
from a guano deposit at Punta de Lobos, Chile
Locality: Punta de Lobos, Chile
_database_code_amcsd 0019473
24.902 5.3323 17.246 90 94.281 90 C2/c
atom      x       y       z occ  Uiso
Na1  .41977  .24195  .07588     .0214
Na2  .50009 -.26669  .08618     .0241
K1   .15202  .25031  .10623     .0247
K2   .32417  .24292  .23240     .0275
Ca       .5   .1735     .25     .0163
Fe       .5    .333     .25 .05 .0152
S1   .56605 -.75113  .07266     .0153
S2   .41680 -.27020  .22437     .0157
N1   .75732   .2462  .12315     .0323
O1   .43161   .4724  .20028     .0258
O2   .35931  -.2587  .23440     .0226
O3   .43758  -.0133 -.02829     .0239
O4   .43613   .5377 -.01849     .0227
O5   .55222  -.2044  .20292     .0238
O6   .38488   .2567  .37627     .0250
O7   .51776   .2672  .11856     .0210
O8   .43192  -.0888  .16526     .0259
O9   .25780   .0436  .34995     .0413
O10  .25789   .4491  .34928     .0417
O11  .78891   .2472  .07049     .0504
Ow   .32731   .2459  .05085     .0383
H1    .3102    .377    .059      .037
H2     .308    .134    .060       .07
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Lusernaite-(Y)
 
Biagioni C, Bonaccorsi E, Camara F, Cadoni M, Ciriotti M E, Bersani D, Kolitsch U
 
American Mineralogist 98 (2013) 1322-1329
Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from
Luserna Valley, Piedmont, Italy: Description and crystal structure
Locality: Dora-Maira massif, Western Alps, Italy
_database_code_amcsd 0019909
7.8412 11.0313 11.3870 90 90 90 Pmna
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1      .25 .49751    .75  .790 .0171  .0120  .0281  .0111      0  .0007      0
Er1     .25 .49751    .75  .075 .0171  .0120  .0281  .0111      0  .0007      0
Yb1     .25 .49751    .75  .045 .0171  .0120  .0281  .0111      0  .0007      0
Gd1     .25 .49751    .75  .035 .0171  .0120  .0281  .0111      0  .0007      0
Ca1     .25 .49751    .75  .025 .0171  .0120  .0281  .0111      0  .0007      0
Sm1     .25 .49751    .75  .005 .0171  .0120  .0281  .0111      0  .0007      0
Pb1A    .25   .570    .75  .015 .0171  .0120  .0281  .0111      0  .0007      0
Pb1B    .25   .409    .75 .0135 .0171  .0120  .0281  .0111      0  .0007      0
Y2        0 .23037 .84868  .915 .0203  .0166  .0282  .0160      0      0  .0001
Dy2       0 .23037 .84868  .085 .0203  .0166  .0282  .0160      0      0  .0001
Al        0     .5 1.0000       .0182   .012   .034   .009      0      0  -.002
C        .5  .6827  .9152        .021   .016   .036   .012      0      0   .007
OH1  -.1625  .3949  .9272       .0233   .011   .046   .013   .001   .001  -.001
O2    .3573  .6424  .8745        .034   .017   .054   .030  -.007   .007  -.009
O3       .5  .7587  .9988        .026   .022   .038   .018      0      0  -.011
F4     -.25  .2136    .75   .33  .027   .016   .046   .020      0      0      0
OH4    -.25  .2136    .75   .67  .027   .016   .046   .020      0      0      0
OH5       0  .4177 1.1437        .020   .021   .033   .006      0      0   .007
OH6       0  .3873  .7091        .021   .019   .037   .007      0      0   .007
Ow1  -.1876  .1348  .9854        .055   .052   .063   .050   .007   .016   .019
Hw1  -.2011  .0366  .9887        .050
Hw2  -.3140  .1579 1.0142        .050
Wat2      0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
OH2       0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
Wat3   -.25  -.141    .75   .50  .101
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Enstatite
Download hom/enstatite.pdf
Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020252
18.2810 8.8732 5.2070 90 90 90 Pbca
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1 .375580 .65446  .87128 .029 .00754 .00830 .00771 .00660 -.00008 -.00062  .00032
MgM1 .375580 .65446  .87128 .971 .00754 .00830 .00771 .00660 -.00008 -.00062  .00032
MgM2 .378034 .48345  .36509 .446 .00981 .01094 .01019 .00829 -.00110 -.00206  .00005
FeM2 .378034 .48345  .36509 .554 .00981 .01094 .01019 .00829 -.00110 -.00206  .00005
SiA  .271544 .34092  .05148      .00664 .00659 .00693 .00640 -.00052  .00020 -.00010
SiB  .473884 .33679  .79705      .00664 .00663 .00670 .00658  .00035 -.00044  .00014
O1A   .18346 .33838  .04147      .00799  .0065  .0090  .0085 -.00012   .0005  -.0003
O1B   .56251 .33764  .79832      .00814  .0069  .0091  .0085  .00013  -.0003   .0001
O2A   .31114 .50118  .05038      .00948  .0100  .0086  .0099  -.0025  -.0009   .0006
O2B   .43369 .48497  .69471      .00976  .0108  .0093  .0092   .0022  -.0007   .0013
O3A   .30269 .22822 -.17338      .01049  .0092  .0133  .0090   .0004  -.0001  -.0039
O3B   .44727 .19933  .59741      .01011  .0094  .0112  .0097  -.0012   .0001  -.0030
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Enstatite
Download hom/enstatite.pdf
Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020253
18.3022 8.8816 5.2082 90 90 90 Pbca
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1 .375724 .65432  .87012 .155 .00805 .00925 .00768 .00722 -.00009 -.00064  .00035
MgM1 .375724 .65432  .87012 .845 .00805 .00925 .00768 .00722 -.00009 -.00064  .00035
MgM2 .377827 .48401  .36401 .562 .01025 .01181 .01036 .00859 -.00119 -.00210  .00007
FeM2 .377827 .48401  .36401 .438 .01025 .01181 .01036 .00859 -.00119 -.00210  .00007
SiA  .271647 .34083  .05069      .00705 .00744 .00693 .00676 -.00053  .00018 -.00012
SiB  .473781 .33678  .79655      .00699 .00737 .00650 .00709  .00030 -.00033  .00017
O1A   .18360 .33901  .03946      .00863  .0078  .0093  .0088  -.0001   .0002   .0001
O1B   .56236 .33842  .79762      .00870  .0078  .0094  .0089   .0002  -.0006   .0002
O2A   .31119 .50097  .04912      .01006  .0113  .0083  .0106  -.0026  -.0013   .0008
O2B   .43343 .48423  .69310      .01035  .0118  .0094  .0097   .0024  -.0002   .0016
O3A   .30274 .22748 -.17301      .01083  .0102  .0133  .0090   .0005   .0000  -.0037
O3B   .44741 .19873  .59763      .01065  .0104  .0116  .0099  -.0012   .0001  -.0028
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Enstatite
Download hom/enstatite.pdf
Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020254
18.2810 8.8732 5.2070 90 90 90 Pbca
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1  .37558 .65444 .87128 .028 .00773  .0087  .0076  .0069  .00003 -.00068  .00035
MgM1  .37558 .65444 .87128 .972 .00773  .0087  .0076  .0069  .00003 -.00068  .00035
MgM2 .378022 .48350 .36510 .445 .01024 .01155 .01054 .00861 -.00112 -.00226  .00008
FeM2 .378022 .48350 .36510 .555 .01024 .01155 .01054 .00861 -.00112 -.00226  .00008
SiA   .27155 .34090 .05139      .00701 .00711 .00712 .00680 -.00052  .00019 -.00017
SiB   .47390 .33682 .79702      .00690 .00692 .00688  .0069  .00037 -.00037  .00016
O1A   .18346 .33834  .0416       .0084  .0071  .0093  .0088  -.0002   .0002  -.0004
O1B   .56252 .33758  .7984       .0084  .0073  .0089  .0090   .0004  -.0004  -.0001
O2A   .31115 .50120  .0503       .0099  .0104  .0094  .0099  -.0023  -.0011   .0006
O2B   .43370 .48491  .6947       .0104  .0115  .0102  .0095   .0023  -.0007   .0016
O3A   .30263 .22825 -.1734       .0110  .0099  .0136  .0095   .0005   .0002  -.0037
O3B   .44724 .19936  .5976       .0107  .0097  .0119  .0105  -.0011  -.0002  -.0031
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Enstatite
Download hom/enstatite.pdf
Jacob D, Palatinus L, Cuvillier P, Leroux H, Domeneghetti C, Camara F
 
American Mineralogist 98 (2013) 1526-1534
Ordering state in orthopyroxene as determined by precession electron diffraction
Locality: Wilson Terrane, North Victoria Land, Antarctica
_database_code_amcsd 0020255
18.3022 8.8816 5.2082 90 90 90 Pbca
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeM1  .37572 .65432 .87017 .154 .00847  .0099  .0077  .0078  .00003 -.00070  .00040
MgM1  .37572 .65432 .87017 .846 .00847  .0099  .0077  .0078  .00003 -.00070  .00040
MgM2 .377812 .48408 .36400 .561 .01080  .0127  .0106 .00916 -.00117 -.00225  .00010
FeM2 .377812 .48408 .36400 .439 .01080  .0127  .0106 .00916 -.00117 -.00225  .00010
SiA   .27167 .34083 .05061      .00745 .00808  .0071  .0072 -.00058  .00022 -.00014
SiB   .47379 .33676 .79653      .00733  .0078  .0065  .0076  .00023 -.00039  .00021
O1A   .18356 .33892  .0396       .0091  .0087  .0094  .0093  -.0001   .0001   .0002
O1B   .56237 .33840  .7975       .0091  .0087  .0091  .0095   .0004  -.0008   .0001
O2A   .31121 .50097  .0492       .0107  .0121  .0087  .0112  -.0026  -.0011   .0007
O2B   .43345 .48420  .6932       .0109  .0122  .0104  .0101   .0022  -.0002   .0019
O3A   .30276 .22755 -.1731       .0114  .0113  .0133  .0097   .0005   .0003  -.0035
O3B   .44738 .19880  .5977       .0113  .0108  .0122  .0108  -.0013   .0000  -.0030
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 0.0001 GPa
_database_code_amcsd 0005003
9.749 8.937 5.246 90 108.49 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2505 .6546 .2322 .253 .0104
MgA  .2505 .6546 .2322 .747 .0104
FeB  .2558 .0177 .2294 .755 .0135
MgB  .2558 .0177 .2294 .124 .0135
CaB   .246  .039  .264 .121   .03
SiA  .0428 .3400 .2745  .99 .0086
AlA  .0428 .3400 .2745  .01 .0086
SiB  .5482 .8383 .2384  .99 .0089
AlB  .5482 .8383 .2384  .01 .0089
O1A   .867 .3374  .168       .008
O1B   .373 .8373  .133       .009
O2A   .118 .4971  .330       .012
O2B   .633 .9886  .372       .017
O3A   .100 .2599  .572       .020
O3B   .607 .7130  .484       .016
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 0.047 GPa
_database_code_amcsd 0005004
9.722 8.941 5.247 90 108.5 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2514 .6549 .2331 .253 .0113
MgA  .2514 .6549 .2331 .747 .0113
FeB  .2564 .0188 .2300 .755 .0142
MgB  .2564 .0188 .2300 .124 .0142
CaB   .252  .027  .283 .121   .03
SiA  .0432 .3401 .2748  .99 .0100
AlA  .0432 .3401 .2748  .01 .0100
SiB  .5477 .8377 .2385  .99 .0083
AlB  .5477 .8377 .2385  .01 .0083
O1A   .869 .3378  .170       .012
O1B   .371 .8379  .133       .009
O2A   .123 .4987  .333       .011
O2B   .628 .9868  .367       .020
O3A   .104 .2621  .574       .020
O3B   .606 .7128  .484       .018
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 0.984 GPa
_database_code_amcsd 0005005
9.701 8.887 5.226 90 108.38 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2520 .6560 .2328 .253 .0115
MgA  .2520 .6560 .2328 .747 .0115
FeB  .2559 .0206 .2280 .755 .0140
MgB  .2559 .0206 .2280 .124 .0140
CaB   .248  .016  .281 .121   .03
SiA  .0428 .3411 .2747  .99 .0106
AlA  .0428 .3411 .2747  .01 .0106
SiB  .5489 .8370 .2375  .99 .0088
AlB  .5489 .8370 .2375  .01 .0088
O1A   .870 .3409  .170       .010
O1B   .372 .8375  .132       .010
O2A   .123 .4999  .333       .009
O2B   .627  .989  .368       .019
O3A   .105  .260  .576       .021
O3B   .606  .711  .478       .017
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 1.794 GPa
_database_code_amcsd 0005006
9.659 8.877 5.218 90 108.09 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2513 .6559 .2305 .253 .0108
MgA  .2513 .6559 .2305 .747 .0108
FeB  .2564 .0205 .2272 .755 .0134
MgB  .2564 .0205 .2272 .124 .0134
CaB   .250  .033  .279 .121   .03
SiA  .0426 .3416 .2736  .99 .0097
AlA  .0426 .3416 .2736  .01 .0097
SiB  .5492 .8382 .2360  .99 .0085
AlB  .5492 .8382 .2360  .01 .0085
O1A   .868 .3380  .169       .009
O1B   .373 .8385  .133       .010
O2A   .123 .5002  .333       .013
O2B   .627 .9894  .370       .015
O3A   .102  .260  .572       .024
O3B   .605  .709  .475       .020
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 3.167 GPa
_database_code_amcsd 0005007
9.621 8.827 5.199 90 107.82 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2509 .6565 .2286 .253 .0103
MgA  .2509 .6565 .2286 .747 .0103
FeB  .2573 .0219 .2245 .755 .0120
MgB  .2573 .0219 .2245 .124 .0120
CaB   .238  .033  .256 .121   .03
SiA  .0412 .3417 .2732  .99 .0099
AlA  .0412 .3417 .2732  .01 .0099
SiB  .5499 .8378 .2332  .99 .0071
AlB  .5499 .8378 .2332  .01 .0071
O1A  .8676 .3400  .171       .010
O1B  .3742 .8373  .131       .009
O2A  .1200 .5035  .330       .009
O2B  .6259 .9876  .370       .015
O3A   .104 .2623  .573       .022
O3B  .6070 .7059  .470       .015
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 3.172 GPa
_database_code_amcsd 0005008
9.622 8.861 5.181 90 107.92 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2505 .6563 .2284 .253 .0100
MgA  .2505 .6563 .2284 .747 .0100
FeB  .2562 .0218 .2234 .755 .0111
MgB  .2562 .0218 .2234 .124 .0111
CaB   .251  .028  .277 .121   .03
SiA  .0418 .3417 .2740  .99 .0086
AlA  .0418 .3417 .2740  .01 .0086
SiB  .5497 .8380 .2334  .99 .0079
AlB  .5497 .8380 .2334  .01 .0079
O1A  .8668 .3381  .171       .008
O1B  .3741 .8374  .131       .008
O2A  .1187 .5021  .329       .012
O2B   .628 .9878  .371       .013
O3A   .103 .2616  .575       .020
O3B   .607 .7055  .471       .013
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 3.587 GPa
_database_code_amcsd 0005009
9.518 8.804 5.056 90 104.04 90 C2/c
atom     x     y     z  occ  Uiso
FeA      0 .9063   .25 .253 .0096
MgA      0 .9063   .25 .747 .0096
FeB      0 .2775   .25 .755 .0150
MgB      0 .2775   .25 .124 .0150
CaB      0 .2775   .25 .121 .0150
Si   .2957 .0905 .2240      .0075
Al   .2957 .0905 .2240      .0075
O1   .1221 .0895 .1431       .010
O2   .3741 .2400 .3598       .012
O3   .3521 .0485  .948       .015
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 3.649 GPa
_database_code_amcsd 0005010
9.494 8.818 5.060 90 104.11 90 C2/c
atom     x     y     z  occ  Uiso
FeA      0 .9064   .25 .253 .0098
MgA      0 .9064   .25 .747 .0098
FeB      0 .2779   .25 .755 .0157
MgB      0 .2779   .25 .124 .0157
CaB      0 .2779   .25 .121 .0157
Si   .2956 .0905 .2237  .99 .0081
Al   .2956 .0905 .2237  .01 .0081
O1   .1216 .0893  .143       .001
O2   .3732 .2395  .360       .012
O3   .3517 .0496  .945       .015
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 6.409 GPa
_database_code_amcsd 0005011
9.434 8.745 5.014 90 103.44 90 C2/c
atom     x     y     z  occ  Uiso
FeA      0 .9072   .25 .253 .0108
MgA      0 .9072   .25 .747 .0108
FeB      0 .2792   .25 .755 .0146
MgB      0 .2792   .25 .124 .0146
CaB      0 .2792   .25 .121 .0146
Si   .2957 .0912 .2207  .99 .0084
Al   .2957 .0912 .2207  .01 .0084
O1   .1209 .0891  .141       .009
O2   .3738 .2408  .359       .012
O3   .3527 .0509  .939       .015
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 7.762 GPa
_database_code_amcsd 0005012
9.402 8.716 4.996 90 103.28 90 C2/c
atom     x     y     z  occ  Uiso
FeA      0 .9077   .25 .253 .0113
MgA      0 .9077   .25 .747 .0113
FeB      0 .2797   .25 .755 .0148
MgB      0 .2797   .25 .124 .0148
CaB      0 .2797   .25 .121 .0148
Si   .2959 .0911 .2203  .99 .0090
Al   .2959 .0911 .2203  .01 .0090
O1   .1218 .0889  .142       .008
O2   .3739 .2411  .360       .013
O3   .3517 .0523  .936       .015
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Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 9.405 GPa
_database_code_amcsd 0005013
9.366 8.682 4.974 90 103.09 90 C2/c
atom     x     y     z  occ  Uiso
FeA      0 .9080   .25 .253  .011
MgA      0 .9080   .25 .747  .011
FeB      0 .2805   .25 .755  .014
MgB      0 .2805   .25 .124  .014
CaB      0 .2805   .25 .121  .014
Si   .2954 .0911 .2188  .99 .0083
Al   .2954 .0911 .2188  .01 .0083
O1   .1217 .0890  .139       .007
O2   .3732 .2428  .361       .010
O3    .352 .0523  .935       .013
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Fantappieite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L,
Gunter M E, Sebastiani M
Download am/vol95/AM95_472.pdf
American Mineralogist 95 (2010) 472-480
Fantappieite, a new mineral of the cancrinite-sodalite group
with a 33-layer stacking sequence: Occurrence and crystal structure
Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy
_database_code_amcsd 0005034
12.8742 12.8742 87.215 90 90 120 P-3
atom       x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A   .1579  .3008 .0127  .5 .047
Na1B   .1935  .3875 .0172 .27 .047
Ca1B   .1935  .3875 .0172 .23 .047
Na2      2/3    1/3 .0207 .41 .016
Na3A       0      0  .038 .69 .012
Ca3A       0      0  .038 .13 .012
Ca3B       0      0 .0565 .19 .012
Na4A   .5038 -.0010 .0433 .53 .017
Na4B   .5337  .0671 .0486 .34 .017
Na5A   .3722  .1848 .0727  .5 .067
Ca5B   .2909  .1454 .0781  .5 .067
Na6      2/3    1/3 .0976 .38 .016
Na7      2/3    1/3 .1643 .39 .016
Na8      2/3    1/3 .2355 .86 .036
Na9A    .449   .543 .2528 .16 .027
Na9B    .491   .509 .2552 .72 .027
Na10     1/3    2/3 .2777 .45 .052
Ca11     1/3    2/3 .2988 .53 .052
Na12   .3894  .1987 .2861 .41 .002
Na13   .3234  .1567 .2899 .34 .002
Na14     2/3    1/3 .3071 .49 .051
Na15     2/3    1/3 .3265 .49 .051
Na16   .1322  .2691 .3163 .10 .002
K16    .1322  .2691 .3163 .40 .002
Na17   .1718   .342 .3163  .5 .002
Na18       0      0 .3442 .87 .036
K18        0      0 .3442 .13 .036
Na19    .508  .0253 .3513 .82 .042
Na20     1/3    2/3 .3641 .65 .037
Na21   .2804  .1422 .3797 .91 .063
Na22    .162  .3226 .4071 .31 .061
Ca22    .162  .3226 .4071 .29 .061
Na23   .2067  .3952 .4136 .40 .061
Na24       0      0 .4325 .82 .093
Na25      .5     .5    .5 .95 .036
Na26       0      0    .5 .75 .028
Ca1      1/3    2/3 .0692     .059   .054   .054   .067   .027      0      0
Ca2    .1841  .3559 .1052 .66 .048   .047   .046   .047   .020  -.004   .001
Na2    .1841  .3559 .1052 .34 .048   .047   .046   .047   .020  -.004   .001
Ca3        0      0 .1292     .025   .024   .024   .026   .012      0      0
Ca4     .165  .3359 .1659 .38 .029   .026   .026   .034   .011   .001   .000
Na4     .165  .3359 .1659 .62 .029   .026   .026   .034   .011   .001   .000
Ca5      1/3    2/3 .2047     .003   .030   .030   .032   .015      0      0
Ca6      .16  .3086 .2256 .16 .034   .038   .038   .032   .023  -.003  -.002
Na6      .16  .3086 .2256 .84 .034   .038   .038   .032   .023  -.003  -.002
Ca7        0      0 .2637     .049   .044   .044   .057   .022      0      0
Ca8      1/3    2/3 .3867 .94 .053   .046   .046   .067   .023      0      0
Ca9      2/3    1/3 .4032     .024   .024   .024   .025   .012      0      0
Ca10   .5132  .0217   .44 .05 .022   .022   .025   .021   .012   .005  -.001
Na10   .5132  .0217   .44 .95 .022   .022   .025   .021   .012   .005  -.001
Ca11     1/3    2/3 .4607     .023   .025   .025   .019   .012      0      0
K1     .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
Na1    .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
K2     .2322  .1168 .1959 .54 .011   .010   .015   .007    .05  -.002  -.001
Na2    .2322  .1168 .1959 .46 .011   .010   .015   .007    .05  -.002  -.001
K3     .4373  .2182 .4705 .98 .022   .023   .023   .020   .010  -.003   .000
Na3    .4373  .2182 .4705 .02 .022   .023   .023   .020   .010  -.003   .000
AlT1   .4213  .3291 .0139     .007   .007   .007   .007   .003   .000   .000
AlT2   .2503  .0027 .0445     .021   .021   .021   .021   .010   .000   .000
AlT3     1/3  .4133 .0733     .011   .011   .010   .011   .005   .000   .000
AlT4   .4142  .0861 .1055     .009   .010   .010   .009   .005   .000   .001
AlT5   .2588  .2546 .1349     .024   .024   .024   .024   .012   .000   .001
AlT6    .415  .0774 .1664     .005   .005   .006   .004   .002  -.001   .000
AlT7   .3337  .4124 .1973     .025   .025   .025   .026   .013  -.001   .000
AlT8   .4094  .0825 .2271     .023   .022   .023   .023   .011   .000   .000
AlT9   .2529  .2509 .2584     .008   .009   .008   .008   .004   .000   .000
AlT10  .0867  .4194 .2897     .024   .023   .024   .023   .011   .001   .001
AlT11  .4205  .3328  .318     .039   .039   .039   .038   .019   .000   .000
AlT12 -.0016  .2512 .3489     .002   .021   .020   .021   .011   .000   .000
AlT13  .3288  .4134 .3781     .048   .048   .048   .048   .024   .000   .000
AlT14  .4167  .0828 .4079     .019   .019   .019   .019   .009   .000   .000
AlT15  .2536  .2556 .4382     .022   .022   .021   .021   .010   .000   .001
AlT16   .078  .4085 .4686     .014   .016   .013   .011   .006   .000   .000
SiT17  .4214  .0875 .0148     .002   .020   .019   .020   .010   .000  -.001
SiT18  .2509  .2502 .0449     .024   .024   .024   .024   .012   .000   .000
SiT19  .0785  .4103 .0739     .016   .016   .016   .016   .009   .000  -.001
SiT20  .4163  .3352 .1048     .033   .034   .035   .030   .019  -.002  -.003
SiT21  .2596  .0097 .1352     .025   .026   .025   .025   .013   .000   .000
SiT22  .4161  .3410 .1663     .013   .013   .013   .012   .007   .000   .000
SiT23  .5839  .6599 .1981     .002   .019   .020   .020   .010   .000   .001
SiT24  .4128  .3303 .2273     .018   .018   .019   .019   .009   .001   .000
SiT25 -.0020  .2499 .2583     .027   .027   .027   .027   .014   .000  -.001
SiT26  .3353  .4221 .2887     .031   .031   .032   .031   .015  -.001   .002
SiT27  .4162   .086 .3189     .051   .050   .051   .050   .025   .000   .000
SiT28  .2485  .2477 .3478     .019   .019   .019   .019   .010  -.001   .000
SiT29  .0803  .4151 .3785     .058   .058   .058   .058   .029   .000   .000
SiT30  .6691  .0777 .4073     .013   .012   .013   .013   .006   .000   .001
SiT31  .2571  .0094 .4389     .035   .035   .035   .035   .018   .000   .000
SiT32  .3316  .4118 .4681     .018   .019   .018   .018   .009  -.001   .001
SiT33  .2545  .2571 .4999     .031   .028   .031   .034   .015   .003   .001
O1     .0115  .3484 .0005     .083   .083   .083   .083   .041   .000   .000
O2     .4478   .227 .0127     .039   .039   .039   .039   .020  -.001   .000
O3     .5522  .1052 .0176     .027   .027   .027   .027   .013   .000   .000
O4     .3383  .0064 .0303     .039   .039   .039   .039   .019   .000   .000
O5     .3295  .3069 .0293     .072   .072   .072   .072   .036   .000   .000
O6     .1261  .2473 .0425     .047   .047   .047   .047   .024   .000   .000
O7     .2176  .1065  .046     .014   .014   .014   .015   .007   .000   .000
O8     .3278  .0054 .0604     .031   .031   .031   .031   .015   .001  -.001
O9     .3246   .321 .0607     .023   .023   .023   .023   .012   .000   .000
O10    .4599  .5524 .0701     .034   .034   .035   .034   .017   .000   .000
O11    .2174  .4346 .0732     .058   .058   .058   .058   .029   .000   .000
O12    .0146  .3526 .0898     .028   .028   .027   .028   .014   .000  -.001
O13    .3396  .3536 .0901     .062   .062   .062   .062   .031   .000   .000
O14    .4286  .2096 .1022     .023   .023   .023   .023   .011   .000   .000
O15    .5682  .1257 .1057     .045   .045   .045   .045   .023   .000   .000
O16    .3379  .3447 .1197     .046   .046   .046   .046   .023   .000   .000
O17    .0027  .3406 .1215     .042   .042   .042   .042   .021   .000   .000
O18    .1205   .242 .1327     .054   .054   .054   .054   .027   .000   .000
O19    .2036  .0985 .1329     .049   .049   .049   .049   .025   .000   .000
O20     .323  .3149 .1504     .035   .035   .035   .035   .017   .000  -.001
O21    .3381   .023 .1514     .018   .018   .018   .019   .009   .000   .000
O22    .5535  .4539 .1611     .043   .043   .043   .043   .022   .000   .000
O23    .4349  .2201 .1685     .043   .043   .044   .043   .022   .000   .000
O24    .0149  .3526 .1808     .026   .026   .026   .026   .013   .000  -.001
O25     .328  .3435 .1815     .028   .028   .028   .028   .014   .000   .000
O26    .4456  .5661 .1983     .021   .021   .021   .021   .010   .000   .000
O27    .2053  .4015 .1993     .076   .076   .076   .076   .038   .000   .000
O28    .3507  .3311  .211     .009   .009   .009   .008   .004   .000   .000
O29    .3571  .0126 .2122     .042   .042   .042   .042   .021   .000   .000
O30    .4536  .2247 .2279     .055   .055   .055   .055   .028   .000   .000
O31    .5401  .4628 .2318     .046   .046   .046   .046   .023   .000   .000
O32    .3232  .0119 .2413     .035   .035   .035   .035   .018   .001   .000
O33    .3255  .3203 .2423     .003   .030   .030   .029   .015   .001  -.001
O34    .1183  .2274 .2579     .003   .031   .030   .030   .015   .000   .000
O35    .2437  .1174 .2626     .023   .023   .023   .022   .011   .000   .000
O36     .022  .3569  .273     .014   .014   .014   .014   .007   .000   .000
O37    .3242  .3474 .2737     .066   .066   .066   .066   .033   .001   .000
O38    .1302  .5614 .2864     .038   .038   .038   .038   .019   .000   .000
O39    .2053  .4164 .2912     .017   .017   .017   .017   .009   .000   .000
O40     .352  .0166 .3024     .013   .013   .013   .013   .007   .000  -.001
O41    .3539  .3496 .3013     .082   .082   .082   .082   .041   .000   .000
O42    .4646  .2303 .3192     .044   .044   .044   .044   .022   .000   .000
O43    .5448  .0864 .3229     .066   .065   .066   .066   .033   .000   .000
O44     .344  .0327  .334     .067   .068   .067   .067   .034   .000   .000
O45    .3444  .3192 .3345     .025   .025   .025   .025   .013   .000   .000
O46    .1184  .2258 .3435     .063   .063   .063   .063   .031   .000   .000
O47    .2242  .1094 .3518     .018   .018   .018   .018   .009   .000   .000
O48     .305  .3297 .3637     .063   .063   .063   .063   .032   .000   .000
O49    .0225  .3332 .3647     .028   .028   .028   .028   .014   .000   .000
O50    .0721  .5316 .3749     .019   .019   .020   .020   .010   .000   .000
O51    .2246  .4412 .3802     .047   .047   .047   .047   .024   .001   .000
O52    .0099  .3431 .3944     .001   .010   .010   .010   .005   .000  -.001
O53    .6509 -.0097 .3942     .036   .035   .036   .035   .018   .000   .000
O54    .4284   .219 .4032     .057   .057   .057   .057   .028   .000   .000
O55    .5613  .1151 .4086     .091   .091   .091   .091   .046   .000   .000
O56    .3386  .0291 .4239     .036   .036   .036   .036   .018   .000   .000
O57     .676  .0357 .4241     .012   .012   .012   .013   .006   .000   .000
O58    .1307  .2545 .4351     .055   .055   .055   .055   .028   .000   .000
O59     .346  .0014 .4534     .015   .015   .015   .015   .008  -.001   .000
O60    .2138  .1028 .4408     .034   .033   .033   .034   .017   .000   .000
O61    .3262  .3307 .4534     .043   .043   .043   .043   .021   .000   .000
O62    .2188  .4403 .4643     .064   .064   .064   .064   .032   .000   .000
O63    .4639   .531 .4667     .037   .037   .037   .037   .018   .000   .000
O64    .3279   .347 .4862     .023   .023   .023   .023   .011   .000   .000
O65    .2436  .1232 .4984     .024   .024   .024   .024   .012   .000   .000
O66    .3566  .3316 .5139     .013   .013   .013   .013   .007   .000   .000
S1         0      0     0     .042   .042   .042   .043   .021      0      0
S2       1/3    2/3  .029     .032   .032   .032   .032   .016      0      0
S3       2/3    1/3 .0597     .077   .077   .077   .077   .038      0      0
S4         0      0 .0897     .136
S5       1/3    2/3 .1125     .016
S6       1/3    2/3 .1631     .041   .040   .040   .042   .020      0      0
S7         0      0 .1707     .018   .018   .018   .018   .009      0      0
S8         0      0 .2226     .045   .045   .045   .044   .023      0      0
S9         0      0 .2994     .039   .039   .039   .039   .020      0      0
S10      2/3    1/3  .365     .005
S11        0      0 .3949     .004
S12     .356  .6929  .428     .009
S13      2/3    1/3 .4451     .002   .020   .020   .019   .010      0      0
S14      2/3    1/3 .4965     .024
Cl1      2/3    1/3 .2695     .035
Wat1     2/3    1/3 .1341     .002
Wat2     1/3    2/3 .2428     .002
Wat3    .362   .664 .3377     .012
O5SA     1/3    2/3 .0952     .097
O5SB   .2726  .5365 .1172     .025
O6SA     1/3    2/3 .1804     .006
O6SB     .26  .5371 .1587     .025
O7SA       0      0 .1533     .025
O7SB   .0643  .1264  .177     .094
O8SA       0      0 .2399     .006
O8SB   .0678  .1211 .2147     .049
O12B   .1896  .5856  .435     .045
O13A     2/3    1/3 .4277     .048
O13B   .5999  .2042 .4502     .028
O14A     2/3    1/3 .5138     .031
O14B   .6063  .2075 .4899     .003
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Fergusonite-(Y)-beta
 
Guastoni A, Camara F, Nestola F
Download am/vol95/AM95_487.pdf
American Mineralogist 95 (2010) 487-494
Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy):
Crystal structure and genetic implications
Locality: Mount Cervandone, Western Alps, Italy
_database_code_amcsd 0005036
5.1794 11.089 5.1176 90 91.282 90 I2/a
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
YA     .25 .1244     0 .70 .023   .027   .014   .027      0  -.001      0
DyA    .25 .1244     0 .07 .023   .027   .014   .027      0  -.001      0
ErA    .25 .1244     0 .05 .023   .027   .014   .027      0  -.001      0
CaA    .25 .1244     0 .05 .023   .027   .014   .027      0  -.001      0
GdA    .25 .1244     0 .02 .023   .027   .014   .027      0  -.001      0
UA     .25 .1244     0 .02 .023   .027   .014   .027      0  -.001      0
YbA    .25 .1244     0 .01 .023   .027   .014   .027      0  -.001      0
TbA    .25 .1244     0 .01 .023   .027   .014   .027      0  -.001      0
ThA    .25 .1244     0 .01 .023   .027   .014   .027      0  -.001      0
NdA    .25 .1244     0 .01 .023   .027   .014   .027      0  -.001      0
NbB    .25 .6302     0 .68 .025   .021   .033   .020      0   .001      0
AsB    .25 .6302     0 .27 .025   .021   .033   .020      0   .001      0
WB     .25 .6302     0 .06 .025   .021   .033   .020      0   .001      0
TaB    .25 .6302     0 .01 .025   .021   .033   .020      0   .001      0
SiB    .25 .6302     0 .01 .025   .021   .033   .020      0   .001      0
O1   .0039 .7108 .1760     .043   .039   .025   .066   .004   .002   .010
O2   .9105 .4580 .2508     .032   .035   .021   .041   .004  -.004   .001
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Norbergite
Download hom/norbergite.pdf
Camara F
Download cm/vol35/CM35_1523.pdf
The Canadian Mineralogist 35 (1997) 1523-1530
New data on the structure of norbergite: location of hydrogen
by X-ray diffraction
Sample: HV43 N4
_database_code_amcsd 0005535
4.710 10.279 8.807 90 90 90 Pbnm
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM2 .99139 .90594    .25 .993       .00595 .00549 .00975  .00027       0       0
FeM2 .99139 .90594    .25 .007       .00595 .00549 .00975  .00027       0       0
MgM3 .98973 .63316 .43062 .993       .00613 .00587 .00580 -.00021  .00059  .00021
FeM3 .98973 .63316 .43062 .007       .00613 .00587 .00580 -.00021  .00059  .00021
Si   .41998 .71964    .25 .985       .00351 .00463 .00458  .00000       0       0
B    .41998 .71964    .25 .015       .00351 .00463 .00458  .00000       0       0
H      .881   .996   .011 .227 .0437
O1   .76216 .72124    .25            .00369 .00654 .00672  .00031       0       0
O2   .27767 .57417    .25            .00573 .00460 .00749 -.00004       0       0
O3   .27011 .79107 .10415            .00501 .00644 .00520 -.00005 -.00019  .00127
F5   .73471 .96786 .08157 .769       .00988 .00738 .00934  .00087 -.00279 -.00016
O5   .73471 .96786 .08157 .231       .00988 .00738 .00934  .00087 -.00279 -.00016
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Norbergite
Download hom/norbergite.pdf
Camara F
Download cm/vol35/CM35_1523.pdf
The Canadian Mineralogist 35 (1997) 1523-1530
New data on the structure of norbergite: location of hydrogen
by X-ray diffraction
Sample: HV47 N1
_database_code_amcsd 0005536
4.711 10.275 8.805 90 90 90 Pbnm
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM2 .99135 .90588    .25 .993       .00595 .00557 .00938  .00035       0       0
FeM2 .99135 .90588    .25 .007       .00595 .00557 .00938  .00035       0       0
MgM3 .98980 .63318 .43066 .993       .00606 .00613 .00560 -.00029  .00056  .00023
FeM3 .98980 .63318 .43066 .007       .00606 .00613 .00560 -.00029  .00056  .00023
Si   .42001 .71963    .25 .985       .00356 .00500 .00460  .00007       0       0
B    .42001 .71963    .25 .015       .00356 .00500 .00460  .00007       0       0
H      .890   .989  -.013 .239 .04248
O1   .76194 .72125    .25            .00362 .00714 .00632 -.00008       0       0
O2   .27753 .57414    .25            .00607 .00517 .00753  .00005       0       0
O3   .27010 .79103 .10426            .00542 .00675 .00524 -.00014 -.00019  .00116
F5   .73479 .96787 .08149 .757       .00999 .00745 .00924  .00086 -.00287 -.00027
O5   .73479 .96787 .08149 .243       .00999 .00745 .00924  .00086 -.00287 -.00027
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Fluoro-magnesio-aluminokatophorite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download cm/vol36/CM36_1245.pdf
The Canadian Mineralogist 36 (1998) 1245-1252
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
effects on mean bond-lengths of octahedra
Sample: A1
_database_code_amcsd 0005568
9.845 18.010 5.275 90 104.74 90 C2/m
atom     x     y     z occ Biso
SiT1 .2816 .0841 .2990 .93  .36
AlT1 .2816 .0841 .2990 .07  .36
SiT2 .2890 .1714 .8057 .93  .42
AlT2 .2890 .1714 .8057 .07  .42
Mg1      0 .0886    .5      .45
Mg2      0 .1765     0      .48
Mg3      0     0     0      .50
NaM4     0 .2775    .5 .13  .78
CaM4     0 .2775    .5 .84  .78
MgM4     0 .2775    .5 .03  .78
NaA      0    .5     0 .10 1.35
NaAm .0421    .5 .0979 .47 2.93
NaA2     0 .4727     0 .25 3.07
O1   .1116 .0846 .2193      .45
O2   .1188 .1698 .7266      .54
F3   .1034     0 .7128      .74
O4   .3640 .2488 .7901      .73
O5   .3489 .1351 .1009      .85
O6   .3456 .1173 .5962      .78
O7   .3436     0 .2871      .79
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Fluoro-magnesio-aluminokatophorite
 
Oberti R, Hawthorne F C, Camara F, Raudsepp M
Download cm/vol36/CM36_1245.pdf
The Canadian Mineralogist 36 (1998) 1245-1252
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
effects on mean bond-lengths of octahedra
Sample: A2, Sc-substituted
_database_code_amcsd 0005569
9.853 18.061 5.295 90 104.49 90 C2/m
atom     x     y     z occ Biso
SiT1 .2826 .0843 .2969 .90  .40
AlT1 .2826 .0843 .2969 .10  .40
SiT2 .2891 .1704 .8026 .90  .46
AlT2 .2891 .1704 .8026 .10  .46
MgM1     0 .0883    .5 .83  .49
ScM1     0 .0883    .5 .17  .49
MgM2     0 .1787     0 .83  .59
ScM2     0 .1787     0 .17  .59
MgM3     0     0     0 .83  .49
ScM3     0     0     0 .17  .49
NaM4     0 .2781    .5 .51 1.14
CaM4     0 .2781    .5 .49 1.14
NaA      0    .5     0 .16 2.01
NaAm .0437    .5 .1012 .50 2.59
NaA2     0 .4730     0 .29 3.10
O1   .1118 .0848 .2184      .51
O2   .1193 .1683 .7268      .58
F3   .1023     0 .7124      .72
O4   .3621 .2486 .7927      .80
O5   .3490 .1328 .0939     1.00
O6   .3455 .1172 .5925      .85
O7   .3437     0 .2859      .92
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