American Mineralogist Crystal Structure Database

68 matching records for this search.

Rossmanite
 
Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K
Download am/vol83/AM83_896.pdf
American Mineralogist 83 (1998) 896-900
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline:
Description and crystal structure
Locality: Rozna, Moravia, Czech Republic
_database_code_amcsd 0002029
15.770 15.770 7.085 90 90 120 R3m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX       0      0 .84080 .43  .0237  .0237  .0193 .01185      0      0
AlY  .06084 .93916  .4373 .72  .0051  .0051  .0079  .0014  .0012 -.0012
LiY  .06084 .93916  .4373 .28  .0051  .0051  .0079  .0014  .0012 -.0012
AlZ  .25942 .29637  .4656      .0069  .0046  .0045  .0029 -.0010 -.0001
SiT  .18965 .19163  .0721      .0041  .0045  .0050  .0021  .0005  .0002
B    .89078 .10922  .6198      .0053  .0053  .0051  .0021  .0000  .0000
OH1       0      0  .3015 .83  .0216  .0216  .0082  .0108      0      0
F1        0      0  .3015 .10  .0216  .0216  .0082  .0108      0      0
O1        0      0  .3015 .07  .0216  .0216  .0082  .0108      0      0
O2   .93952 .06048  .5809      .0138  .0138  .0108  .0112 -.0001  .0001
OH3  .12998 .87002  .5647      .0095  .0095  .0065 -.0012  .0011 -.0011
O4   .90516 .09484 -.0017      .0066  .0066  .0083 -.0001 -.0003  .0003
O5   .09386 .90614 -.0229      .0075  .0075  .0077 -.0001 -.0010  .0010
O6   .18346 .19363  .2988      .0081  .0079  .0051  .0034  .0003  .0000
O7   .28630 .28694 -.0034      .0054  .0062  .0061  .0017  .0014 -.0003
O8   .27035 .20965  .6359      .0087  .0049  .0079  .0035 -.0031 -.0009
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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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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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Obertiite
 
Hawthorne F C, Cooper M A, Grice J D, Ottolini L
Download am/vol85/AM85_236.pdf
American Mineralogist 85 (2000) 236-241
A new anhydrous amphibole from the Eifel region, Germany:
Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2
Note: M1A and M1 are interchanged in the bond length table
_database_code_amcsd 0002347
9.776 17.919 5.292 90 104.05 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)
O1   .1136  .0858 .2176            .0062  .0047  .0091  .0000  .0007  .0005
O2   .1170  .1652 .7249            .0052  .0128  .0040  .0000  .0001 -.0007
O3   .1034      0 .7061            .0054  .0127  .0043      0  .0021      0
O4   .3578  .2508 .7995            .0115  .0068  .0111  .0012  .0005 -.0036
O5   .3497  .1276 .0805            .0069  .0130  .0075  .0049  .0030 -.0008
O6   .3461  .1200 .5798            .0084  .0105  .0066 -.0046  .0003 -.0001
O7   .3434      0 .2996            .0099  .0087  .0138      0  .0051      0
SiT1 .2836 .08524 .2941            .0058  .0055  .0050 -.0004  .0013  .0008
SiT2 .2883 .17078 .7985            .0051  .0063  .0040  .0003  .0001 -.0008
Ti1A     0  .0788    .5  .43       .0094  .0094  .0047      0  .0002      0
Mn1A     0  .0788    .5 .185       .0094  .0094  .0047      0  .0002      0
Mg1      0  .0910    .5 .385       .0094  .0094  .0047      0  .0002      0
Mg2      0 .18172     0  .66       .0077  .0084  .0069      0  .0024      0
Fe2      0 .18172     0 .325       .0077  .0084  .0069      0  .0024      0
Al2      0 .18172     0 .015       .0077  .0084  .0069      0  .0024      0
Mg3      0      0     0  .04       .0068  .0082  .0081      0  .0007      0
Na4      0  .2738    .5  .92       .0240  .0159  .0253      0  .0160      0
Fe4      0  .2738    .5  .03       .0240  .0159  .0253      0  .0160      0
Ca4      0  .2738    .5            .0240  .0159  .0253      0  .0160      0
KAm   .048     .5  .101  .09 .0200
NaAm  .048     .5  .101  .19 .0200
NaA2     0  .4886     0  .22 .0200
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Sodic-ferripedrizite
 
Oberti R, Caballero J M, Ottolini L, Lopez-Andres S, Herreros V
Download am/vol85/AM85_578.pdf
American Mineralogist 85 (2000) 578-585
Sodic-ferripedrizite, a new monoclinic amphibole
bridging the magnesium-iron-manganese-lithium and the sodium-calcium groups
Note: site occupancy unknown
Sample: crystal P(1)
_database_code_amcsd 0002422
9.536 17.797 5.278 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)
O1    .1114 .0906 .2083            .0014  .0005  .0055 -.0001  .0005 -.0001
O2    .1209 .1725 .7311            .0016  .0006  .0064  .0001  .0006 -.0001
Oh3   .1150     0 .6973 .58        .0028  .0007  .0093      0  .0003      0
F3    .1150     0 .6973 .42        .0028  .0007  .0093      0  .0003      0
O4    .3726 .2508 .7862            .0032  .0005  .0080 -.0005  .0003  .0002
O5    .3542 .1292 .0684            .0018  .0009  .0054      0  .0005  .0010
O6    .3471 .1198 .5683            .0020  .0009  .0063  .0001  .0007 -.0009
O7    .3404     0 .2826            .0021  .0004  .0128      0  .0010      0
SiT1  .2835 .0863 .2811            .0014  .0003  .0038      0  .0003      0
SiT2  .2952 .1714 .7897            .0015  .0003  .0039 -.0001  .0003      0
FeM1      0 .0859    .5 .16        .0021  .0005  .0049      0  .0012      0
MgM1      0 .0859    .5 .88        .0021  .0005  .0049      0  .0012      0
FeM2      0 .1795     0 .83        .0015  .0004  .0046      0  .0004      0
AlM2      0 .1795     0 .10        .0015  .0004  .0046      0  .0004      0
LiM3      0     0     0 .88        .0037  .0006  .0082      0  .0001      0
NaM4      0 .2712    .5 .30        .0061  .0020  .0125      0  .0049      0
CaM4      0 .2712    .5 .02        .0061  .0020  .0125      0  .0049      0
LiM4'     0 .2452    .5 .68 .0080
KA        0    .5     0 .03        .0010  .0037  .0064      0  .0016      0
NaAm  .0660    .5 .1340 .35        .0096  .0013  .0304      0  .0137      0
H     .1684     0 .7115 .58 .0188
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Sodic-ferripedrizite
 
Oberti R, Caballero J M, Ottolini L, Lopez-Andres S, Herreros V
Download am/vol85/AM85_578.pdf
American Mineralogist 85 (2000) 578-585
Sodic-ferripedrizite, a new monoclinic amphibole
bridging the magnesium-iron-manganese-lithium and the sodium-calcium groups
Note: site occupancy unknown
Sample: crystal P(2)
_database_code_amcsd 0002423
9.534 17.785 5.278 90 102.52 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)
O1    .1116 .0906 .2081            .0014  .0005  .0045      0  .0002      0
O2    .1210 .1726 .7311            .0013  .0006  .0061      0  .0007 -.0001
Oh3   .1158     0 .6966 .53        .0033  .0007  .0110      0  .0006      0
F3    .1158     0 .6966 .47        .0033  .0007  .0110      0  .0006      0
O4    .3727 .2507 .7856            .0033  .0005  .0067 -.0005  .0003      0
O5    .3544 .1292 .0679            .0018  .0008  .0054      0  .0005  .0009
O6    .3469 .1198 .5680            .0020  .0009  .0062  .0002  .0010 -.0009
O7    .3407     0 .2833            .0020  .0003  .0140      0  .0003      0
SiT1  .2835 .0864 .2811            .0014  .0003  .0036      0  .0002      0
SiT2  .2953 .1715 .7894            .0014  .0003  .0038 -.0001  .0002 -.0001
FeM1      0 .0857    .5 .16        .0018  .0005  .0043      0  .0013      0
MgM1      0 .0857    .5 .88        .0018  .0005  .0043      0  .0013      0
FeM2      0 .1794     0 .83        .0012  .0004  .0045      0  .0004      0
AlM2      0 .1794     0 .10        .0012  .0004  .0045      0  .0004      0
LiM3      0     0     0 .88        .0026  .0006  .0065      0 -.0003      0
NaM4      0 .2702    .5 .18        .0044  .0019  .0089      0  .0037      0
CaM4      0 .2702    .5 .02        .0044  .0019  .0089      0  .0037      0
LiM4'     0 .2435    .5 .80 .0099
KA        0    .5     0 .03        .0041  .0012  .0133      0  .0074      0
NaAm  .0671    .5 .1364 .48        .0095  .0014  .0254      0  .1258      0
H     .1973     0 .7580 .53 .0365
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Peprossiite-(Ce)
Download hom/peprossiitece.pdf
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
Download am/vol85/AM85_586.pdf
American Mineralogist 85 (2000) 586-593
The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate
with square-pyramidal coordination for Al
Sample: Pep1
_database_code_amcsd 0002424
4.612 4.612 9.374 90 90 120 P-62m
atom     x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PrM2     0      0     0 .818  .0122  .0122  .0083  .0061      0      0
CaM2     0      0     0 .102  .0122  .0122  .0083  .0061      0      0
AlM1 .3889      0    .5  2/3  .0046  .0048  .0060  .0024      0      0
BT     1/3    2/3 .2202 .967  .0078  .0078  .0059  .0039      0      0
SiT    1/3    2/3 .2202 .033  .0078  .0078  .0059  .0039      0      0
O1     1/3    2/3 .3754       .0092  .0092  .0054  .0046      0      0
O2   .4215      0 .1612       .0131  .0072  .0087  .0036 -.0030      0
O3       0      0    .5  2/3  .0046  .0046  .0086  .0023      0      0
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Peprossiite-(Ce)
Download hom/peprossiitece.pdf
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
Download am/vol85/AM85_586.pdf
American Mineralogist 85 (2000) 586-593
The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like
borate with square-pyramidal coordination for Al
Sample: Pep2
_database_code_amcsd 0002425
4.596 4.596 9.309 90 90 120 P-62m
atom     x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
LaM2     0      0     0 .785  .0084  .0084  .0086  .0042      0      0
ThM2     0      0     0 .215  .0084  .0084  .0086  .0042      0      0
AlM1 .3889      0    .5  2/3  .0056  .0044  .0096  .0022      0      0
BT     1/3    2/3 .2196       .0052  .0052  .0082  .0026      0      0
O1     1/3    2/3 .3744       .0090  .0090  .0078  .0045      0      0
O2   .4180      0 .1592       .0101  .0034  .0149  .0017 -.0020      0
O3       0      0    .5  2/3  .0030  .0030  .0141  .0015      0      0
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1997-1 SE-India
_database_code_amcsd 0002605
17.0568 9.7154 9.3472 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33743       0    .25 .992 .00625 .00522 .00607 .00745       0       0 -.00008
FeM        .33743       0    .25 .008 .00625 .00522 .00607 .00745       0       0 -.00008
AlT11         .25     .25 .25015 .991 .00553 .00656 .00502 .00499  .00136       0       0
FeT11         .25     .25 .25015 .009 .00553 .00656 .00502 .00499  .00136       0       0
SiT16           0      .5    .25      .00448 .00371 .00561 .00412       0       0       0
SiT21      .19266  .07779      0      .00405 .00428 .00351 .00436  .00028       0       0
SiT23      .13516 -.23754      0      .00414 .00377 .00421 .00444 -.00059       0       0
AlT26      .05091  .30795      0      .00440 .00358 .00488 .00472  .00051       0       0
O11        .24743 -.10271 .35880      .00722 .00886 .00655 .00625 -.00073  .00279 -.00107
O16        .06242 -.41629 .34900      .00711 .00573 .00903 .00657 -.00088  .00020 -.00312
O13       -.17328 -.31056 .35852      .00731 .00789 .00773 .00630  .00127 -.00202 -.00221
O26        .04309 -.24797      0      .01146 .00437 .01486 .01515 -.00198       0       0
O21        .12243  .18464      0      .01089 .00839 .00916 .01514  .00508       0       0
O23        .16455 -.07972      0      .01064 .01244 .00471 .01477 -.00266       0       0
WatCh1          0       0    .25  .54   .193   .362   .134   .084       0       0       0
NaCh2           0       0      0 .044   .029   .017   .025   .046    .003       0       0
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 126231 Tanzania
_database_code_amcsd 0002606
17.0645 9.7281 9.3515 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33736       0    .25 .917 .00639 .00543 .00592 .00782       0       0 -.00016
FeM        .33736       0    .25 .083 .00639 .00543 .00592 .00782       0       0 -.00016
AlT11         .25     .25 .25020 .985 .00585 .00694 .00534 .00529  .00145       0       0
FeT11         .25     .25 .25020 .015 .00585 .00694 .00534 .00529  .00145       0       0
SiT16           0      .5    .25 .992 .00492 .00428 .00596 .00450       0       0       0
FeT16           0      .5    .25 .008 .00492 .00428 .00596 .00450       0       0       0
SiT21      .19258  .07786      0      .00421 .00451 .00355 .00457  .00025       0       0
SiT23      .13513 -.23727      0      .00435 .00395 .00443 .00467 -.00055       0       0
AlT26      .05091  .30800      0      .00453 .00388 .00489 .00481  .00046       0       0
O11        .24727 -.10284 .35879      .00783 .00980 .00692 .00676 -.00046  .00322 -.00096
O16        .06223 -.41618 .34898      .00748 .00634 .00913 .00696 -.00072  .00027 -.00314
O13       -.17310 -.31010 .35851      .00800 .00805 .00859 .00735  .00131 -.00190 -.00240
O26        .04303 -.24727      0      .01158 .00442 .01468 .01565 -.00236       0       0
O21        .12227  .18445      0      .01156 .00934 .00969 .01564  .00528       0       0
O23        .16444 -.07961      0      .01104 .01240 .00450 .01620 -.00292       0       0
WatCh1          0       0    .25  .38   .161
NaCh2           0       0      0 .084   .038   .038   .022   .053       0       0       0
CCh1c           0       0    .25 .192   .031
OCh1x      .05953       0    .25 .192   .082
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Zimbabwe
_database_code_amcsd 0002607
17.0807 9.7307 9.3427 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33745       0    .25 .876 .00657 .00575 .00559 .00837       0       0 -.00009
FeM        .33745       0    .25 .124 .00657 .00575 .00559 .00837       0       0 -.00009
AlT11         .25     .25 .25012 .982 .00600 .00738 .00503 .00560  .00127       0       0
FeT11         .25     .25 .25012 .018 .00600 .00738 .00503 .00560  .00127       0       0
SiT16           0      .5    .25      .00470 .00434 .00526 .00448       0       0       0
SiT21      .19236  .07792      0      .00428 .00476 .00317 .00492  .00015       0       0
SiT23      .13511 -.23720      0      .00436 .00416 .00385 .00506 -.00064       0       0
AlT26      .05075  .30775      0      .00453 .00416 .00446 .00496  .00045       0       0
O11        .24702 -.10287 .35867      .00782 .01023 .00631 .00693 -.00084  .00305 -.00113
O16        .06219 -.41604 .34894      .00748 .00687 .00863 .00695 -.00100  .00019 -.00318
O13       -.17324 -.30991 .35840      .00773 .00830 .00791 .00700  .00123 -.00196 -.00236
O26        .04317 -.24805      0      .01142 .00459 .01426 .01542 -.00204       0       0
O21        .12222  .18444      0      .01126 .00924 .00928 .01526  .00504       0       0
O23        .16426 -.07955      0      .01093 .01268 .00471 .01542 -.00320       0       0
WatCh1          0       0    .25  .39   .161   .298   .133   .052       0       0       0
NaCh2           0       0      0 .052   .025   .021   .010   .044   -.003       0       0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1960728, Orijarvi, Finland
_database_code_amcsd 0002608
17.0994 9.7358 9.3360 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33750       0    .25 .802 .00647 .00534 .00578 .00830       0       0 -.00006
FeM        .33750       0    .25 .198 .00647 .00534 .00578 .00830       0       0 -.00006
AlT11         .25     .25 .25009 .986 .00589 .00701 .00551 .00516  .00129       0       0
FeT11         .25     .25 .25009 .014 .00589 .00701 .00551 .00516  .00129       0       0
SiT16           0      .5    .25      .00483 .00427 .00568 .00456       0       0       0
SiT21      .19217  .07803      0      .00431 .00448 .00364 .00481  .00034       0       0
SiT23      .13511 -.23680      0      .00436 .00385 .00446 .00477 -.00062       0       0
AlT26      .05062  .30761      0      .00460 .00390 .00473 .00518  .00048       0       0
O11        .24680 -.10308 .35863      .00768 .00961 .00668 .00675 -.00057  .00306 -.00109
O16        .06207 -.41588 .34889      .00767 .00641 .00900 .00759 -.00123  .00053 -.00326
O13       -.17331 -.30949 .35834      .00768 .00797 .00850 .00659  .00141 -.00186 -.00213
O26        .04329 -.24819      0      .01161 .00400 .01531 .01552 -.00219       0       0
O21        .12211  .18473      0      .01148 .00873 .00923 .01647  .00520       0       0
O23        .16429 -.07925      0      .01124 .01282 .00443 .01646 -.00260       0       0
WatCh1          0       0    .25  .50   .246   .599   .094   .045       0       0       0
NaCh2           0       0      0 .046   .039   .027   .032   .058    .007       0       0
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 85131, Mt Bity, Madagaskar
_database_code_amcsd 0002609
17.0987 9.7388 9.3347 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33746       0    .25 .807 .00652 .00541 .00571 .00843       0       0 -.00003
FeM        .33746       0    .25 .193 .00652 .00541 .00571 .00843       0       0 -.00003
AlT11         .25     .25 .25009 .981 .00610 .00722 .00557 .00550  .00132       0       0
FeT11         .25     .25 .25009 .019 .00610 .00722 .00557 .00550  .00132       0       0
SiT16           0      .5    .25 .992 .00498 .00449 .00574 .00469       0       0       0
FeT16           0      .5    .25 .008 .00498 .00449 .00574 .00469       0       0       0
SiT21      .19213  .07807      0      .00426 .00444 .00343 .00491  .00022       0       0
SiT23      .13511 -.23686      0      .00433 .00378 .00431 .00491 -.00060       0       0
AlT26      .05064  .30764      0      .00455 .00384 .00477 .00503  .00057       0       0
O11        .24677 -.10308 .35865      .00781 .00994 .00659 .00690 -.00061  .00318 -.00100
O16        .06208 -.41594 .34889      .00768 .00671 .00907 .00725 -.00127  .00034 -.00338
O13       -.17326 -.30947 .35835      .00776 .00818 .00812 .00699  .00133 -.00207 -.00238
O26        .04321 -.24788      0      .01167 .00412 .01461 .01629 -.00206       0       0
O21        .12197  .18448      0      .01145 .00902 .00926 .01608  .00543       0       0
O23        .16417 -.07919      0      .01105 .01252 .00480 .01581 -.00288       0       0
WatCh1          0       0    .25  .55   .195   .359   .154   .071       0       0       0
NaCh2           0       0      0 .056   .037   .051   .016   .044   -.001       0       0
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: g13994, Dolny Bory , Czech Republic
_database_code_amcsd 0002610
17.2232 9.8261 9.2989 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33698       0    .25 .077 .00741 .00592 .00639 .00991       0       0 -.00012
FeM        .33698       0    .25 .888 .00741 .00592 .00639 .00991       0       0 -.00012
LiM        .33698       0    .25 .035 .00741 .00592 .00639 .00991       0       0 -.00012
AlT11         .25     .25 .25007 .984 .00688 .00783 .00652 .00628  .00109       0       0
FeT11         .25     .25 .25007 .016 .00688 .00783 .00652 .00628  .00109       0       0
SiT16           0      .5    .25 .995 .00582 .00516 .00662 .00569       0       0       0
FeT16           0      .5    .25 .005 .00582 .00516 .00662 .00569       0       0       0
SiT21      .19001  .07904      0      .00482 .00496 .00369 .00579  .00020       0       0
SiT23      .13473 -.23442      0      .00499 .00413 .00495 .00588 -.00057       0       0
AlT26      .04982  .30742      0      .00521 .00422 .00550 .00592  .00074       0       0
O11        .24419 -.10452 .35794      .00863 .01087 .00734 .00767 -.00070  .00259 -.00097
O16        .06097 -.41472 .34885      .00876 .00756 .01013 .00860 -.00108  .00066 -.00378
O13       -.17306 -.30569 .35772      .00890 .00898 .00967 .00805  .00173 -.00210 -.00195
O26        .04325 -.24690      0      .01325 .00514 .01685 .01778 -.00246       0       0
O21        .11960  .18377      0      .01295 .01000 .01069 .01817  .00668       0       0
O23        .16227 -.07697      0      .01283 .01451 .00531 .01868 -.00327       0       0
WatCh1          0       0    .25  .43   .078   .129   .057   .047       0       0       0
NaCh2           0       0      0 .162   .026   .027   .011   .040   -.001       0       0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1997-1 SE-India, T = 900 C, t = 24 h, in air
_database_code_amcsd 0002611
17.071 9.717 9.3479 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33748       0    .25 .988 .00620 .00553 .00583 .00723       0       0 -.00005
FeM    .33748       0    .25 .012 .00620 .00553 .00583 .00723       0       0 -.00005
AlT11     .25     .25 .25011 .988 .00525 .00645 .00477 .00454  .00143       0       0
FeT11     .25     .25 .25011 .012 .00525 .00645 .00477 .00454  .00143       0       0
SiT16       0      .5    .25 .994 .00438 .00389 .00539 .00386       0       0       0
FeT16       0      .5    .25 .006 .00438 .00389 .00539 .00386       0       0       0
SiT21  .19262  .07779      0      .00376 .00420 .00319 .00389  .00015       0       0
SiT23  .13516 -.23764      0      .00385 .00380 .00386 .00389 -.00056       0       0
AlT26  .05083  .30787      0      .00403 .00346 .00450 .00412  .00045       0       0
O11    .24734 -.10261 .35881      .00700 .00862 .00636 .00601 -.00064  .00274 -.00101
O16    .06241 -.41623 .34899      .00679 .00579 .00850 .00610 -.00076  .00014 -.00307
O13   -.17334 -.31051 .35846      .00703 .00782 .00728 .00600  .00132 -.00183 -.00222
O26    .04329 -.24896      0      .01068 .00446 .01368 .01391 -.00173       0       0
O21    .12251  .18478      0      .01048 .00807 .00902 .01434  .00508       0       0
O23    .16447 -.07972      0      .01032 .01155 .00438 .01502 -.00290       0       0
NaCh2       0       0      0 .067   .124   .061   .047   .263   -.007       0       0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample:126231 Tanzania, T = 900 C, t = 24h
_database_code_amcsd 0002612
17.089 9.729 9.350 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33750       0    .25 .908 .00648 .00540 .00611 .00793       0       0 -.00006
FeM    .33750       0    .25 .092 .00648 .00540 .00611 .00793       0       0 -.00006
AlT11     .25     .25 .25014 .988 .00580 .00670 .00535 .00535  .00131       0       0
FeT11     .25     .25 .25014 .012 .00580 .00670 .00535 .00535  .00131       0       0
SiT16       0      .5    .25      .00468 .00400 .00567 .00437       0       0       0
SiT21  .19241  .07782      0      .00419 .00441 .00368 .00449  .00023       0       0
SiT23  .13509 -.23748      0      .00427 .00377 .00443 .00460 -.00061       0       0
AlT26  .05078  .30787      0      .00452 .00375 .00500 .00479  .00057       0       0
O11    .24706 -.10275 .35876      .00777 .00958 .00707 .00666 -.00055  .00302 -.00077
O16    .06229 -.41607 .34893      .00745 .00620 .00912 .00703 -.00095  .00024 -.00316
O13   -.17325 -.31013 .35842      .00779 .00792 .00847 .00698  .00127 -.00208 -.00236
O26    .04320 -.24863      0      .01139 .00439 .01494 .01484 -.00221       0       0
O21    .12219  .18450      0      .01137 .00940 .00971 .01499  .00563       0       0
O23    .16419 -.07953      0      .01107 .01253 .00486 .01582 -.00307       0       0
NaCh2       0       0      0 .086   .066   .051   .019   .128       0       0       0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Zimbabwe, T = 900 C, t = 24h
_database_code_amcsd 0002613
17.096 9.729 9.342 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33748       0    .25 .875 .00678 .00577 .00613 .00845       0       0 -.00005
FeM    .33748       0    .25 .125 .00678 .00577 .00613 .00845       0       0 -.00005
AlT11     .25     .25 .25010 .992 .00599 .00705 .00535 .00557  .00109       0       0
FeT11     .25     .25 .25010 .008 .00599 .00705 .00535 .00557  .00109       0       0
SiT16       0      .5    .25      .00505 .00445 .00583 .00485       0       0       0
SiT21  .19230  .07793      0      .00452 .00485 .00374 .00496  .00013       0       0
SiT23  .13508 -.23728      0      .00458 .00412 .00452 .00511 -.00066       0       0
AlT26  .05070  .30776      0      .00480 .00415 .00506 .00520  .00055       0       0
O11    .24692 -.10287 .35864      .00804 .01004 .00697 .00712 -.00056  .00295 -.00089
O16    .06223 -.41597 .34892      .00770 .00654 .00914 .00742 -.00100  .00020 -.00321
O13   -.17333 -.30993 .35840      .00806 .00815 .00864 .00738  .00122 -.00198 -.00233
O26    .04327 -.24890      0      .01181 .00482 .01511 .01550 -.00210       0       0
O21    .12214  .18465      0      .01157 .00947 .00961 .01564  .00524       0       0
O23    .16414 -.07939      0      .01133 .01299 .00505 .01596 -.00297       0       0
NaCh2       0       0      0 .074   .083   .058   .019   .171    .002       0       0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 85131, Mt. Bity, Madagaskar, T = 900 C, t = 24 h
_database_code_amcsd 0002614
17.1135 9.7359 9.3330 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33754       0    .25 .810 .00665 .00529 .00583 .00883       0       0 -.00007
FeM    .33754       0    .25 .190 .00665 .00529 .00583 .00883       0       0 -.00007
AlT11     .25     .25 .25009 .988 .00603 .00679 .00547 .00583  .00110       0       0
FeT11     .25     .25 .25009 .012 .00603 .00679 .00547 .00583  .00110       0       0
SiT16       0      .5    .25      .00498 .00446 .00556 .00491       0       0       0
SiT21  .19202  .07808      0      .00445 .00460 .00341 .00536  .00023       0       0
SiT23  .13512 -.23696      0      .00453 .00379 .00429 .00550 -.00069       0       0
AlT26  .05050  .30757      0      .00468 .00388 .00466 .00549  .00055       0       0
O11    .24663 -.10299 .35858      .00788 .00981 .00661 .00722 -.00081  .00297 -.00070
O16    .06211 -.41584 .34883      .00781 .00660 .00914 .00769 -.00090  .00007 -.00335
O13   -.17333 -.30942 .35828      .00805 .00814 .00844 .00757  .00142 -.00212 -.00216
O26    .04344 -.24918      0      .01148 .00440 .01414 .01591 -.00190       0       0
O21    .12205  .18480      0      .01152 .00932 .00952 .01572  .00541       0       0
O23    .16401 -.07922      0      .01139 .01268 .00504 .01644 -.00301       0       0
NaCh2       0       0      0 .052   .083   .039   .016   .193    .008       0       0
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Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h
_database_code_amcsd 0002615
17.119 9.735 9.334 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33754       0    .25 .791 .00663 .00556 .00583 .00851       0       0 -.00010
FeM    .33754       0    .25 .209 .00663 .00556 .00583 .00851       0       0 -.00010
AlT11     .25     .25 .25007 .987 .00593 .00688 .00542 .00548  .00128       0       0
FeT11     .25     .25 .25007 .013 .00593 .00688 .00542 .00548  .00128       0       0
SiT16       0      .5    .25 .991 .00523 .00490 .00585 .00493       0       0       0
FeT16       0      .5    .25 .009 .00523 .00490 .00585 .00493       0       0       0
SiT21  .19202  .07809      0      .00431 .00439 .00352 .00503  .00019       0       0
SiT23  .13506 -.23699      0      .00444 .00396 .00431 .00505 -.00065       0       0
AlT26  .05054  .30758      0      .00462 .00387 .00491 .00507  .00072       0       0
O11    .24663 -.10297 .35844      .00778 .00960 .00669 .00705 -.00072  .00285 -.00101
O16    .06210 -.41591 .34889      .00770 .00663 .00902 .00745 -.00124  .00022 -.00324
O13   -.17335 -.30947 .35823      .00771 .00786 .00809 .00720  .00128 -.00202 -.00224
O26    .04345 -.24929      0      .01136 .00438 .01457 .01513 -.00166       0       0
O21    .12212  .18498      0      .01142 .00891 .00956 .01579  .00495       0       0
O23    .16405 -.07917      0      .01092 .01250 .00473 .01554 -.00299       0       0
NaCh2       0       0      0 .038   .182   .077   .027   .444   -.005       0       0
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Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Great Bear Lake, T = 900 C, t = 24 h
_database_code_amcsd 0002616
17.132 9.744 9.330 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33757       0    .25 .725 .00649 .00515 .00551 .00881       0       0 -.00006
FeM    .33757       0    .25 .275 .00649 .00515 .00551 .00881       0       0 -.00006
AlT11     .25     .25 .25004 .988 .00593 .00693 .00521 .00566  .00117       0       0
FeT11     .25     .25 .25004 .012 .00593 .00693 .00521 .00566  .00117       0       0
SiT16       0      .5    .25 .993 .00510 .00474 .00554 .00501       0       0       0
FeT16       0      .5    .25 .007 .00510 .00474 .00554 .00501       0       0       0
SiT21  .19183  .07819      0      .00423 .00443 .00322 .00504  .00031       0       0
SiT23  .13504 -.23677      0      .00446 .00403 .00415 .00521 -.00069       0       0
AlT26  .05045  .30737      0      .00460 .00392 .00449 .00540  .00048       0       0
O11    .24639 -.10313 .35861      .00783 .00972 .00645 .00731 -.00039  .00326 -.00093
O16    .06192 -.41565 .34876      .00779 .00646 .00872 .00818 -.00131  .00060 -.00348
O13   -.17331 -.30913 .35824      .00780 .00758 .00855 .00725  .00154 -.00208 -.00238
O26    .04336 -.24898      0      .01162 .00402 .01466 .01619 -.00202       0       0
O21    .12195  .18469      0      .01120 .00861 .00958 .01542  .00524       0       0
O23    .16388 -.07901      0      .01115 .01249 .00477 .01618 -.00287       0       0
NaCh2       0       0      0 .021   .011
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Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h
_database_code_amcsd 0002617
17.138 9.751 9.328 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33744       0    .25 .771 .00715 .00625 .00679 .00841       0       0 -.00009
FeM    .33744       0    .25 .289 .00715 .00625 .00679 .00841       0       0 -.00009
AlT11     .25     .25 .25005 .995 .00635 .00786 .00628 .00490  .00114       0       0
FeT11     .25     .25 .25005 .005 .00635 .00786 .00628 .00490  .00114       0       0
SiT16       0      .5    .25      .00564 .00577 .00657 .00457       0       0       0
SiT21  .19161  .07831      0      .00500 .00566 .00460 .00475  .00019       0       0
SiT23  .13501 -.23658      0      .00502 .00486 .00543 .00478 -.00056       0       0
AlT26  .05037  .30762      0      .00522 .00482 .00606 .00480  .00071       0       0
O11    .24616 -.10329 .35854      .00859 .01134 .00811 .00633 -.00059  .00313 -.00083
O16    .06194 -.41571 .34891      .00862 .00815 .01047 .00725 -.00150  .00079 -.00322
O13   -.17335 -.30888 .35817      .00872 .00940 .00972 .00702  .00136 -.00228 -.00231
O26    .04342 -.24893      0      .01254 .00600 .01612 .01551 -.00234       0       0
O21    .12162  .18469      0      .01254 .01122 .01063 .01578  .00557       0       0
O23    .16365 -.07891      0      .01218 .01390 .00634 .01630 -.00294       0       0
NaCh2       0       0      0 .066   .090   .041   .016   .212    .007       0       0
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Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 111249, Cerro del Hoyazo, Spain, T = 900 C, t = 24 h
_database_code_amcsd 0002618
17.172 9.7660 9.3142 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33741       0    .25 .494 .00707 .00608 .00663 .00851       0       0  .00006
FeM    .33741       0    .25 .506 .00707 .00608 .00663 .00851       0       0  .00006
AlT11     .25     .25 .25008 .991 .00612 .00773 .00588 .00475  .00122       0       0
FeT11     .25     .25 .25008 .009 .00612 .00773 .00588 .00475  .00122       0       0
SiT16       0      .5    .25      .00525 .00537 .00642 .00397       0       0       0
SiT21  .19126  .07847      0      .00474 .00598 .00378 .00447  .00017       0       0
SiT23  .13492 -.23598      0      .00466 .00480 .00474 .00445 -.00079       0       0
AlT26  .05011  .30707      0      .00461 .00390 .00583 .00411  .00069       0       0
O11    .24562 -.10360 .35846      .00835 .01087 .00784 .00635 -.00043  .00291 -.00139
O16    .06161 -.41513 .34874      .00846 .00806 .00975 .00757 -.00124 -.00017 -.00298
O13   -.17332 -.30819 .35802      .00826 .00919 .00940 .00619  .00139 -.00217 -.00218
O26    .04360 -.24862      0      .01233 .00587 .01590 .01521 -.00263       0       0
O21    .12127  .18444      0      .01236 .01118 .01014 .01577  .00532       0       0
O23    .16337 -.07837      0      .01219 .01552 .00576 .01530 -.00341       0       0
NaCh2       0       0      0 .037   .055
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Fluorbritholite-(Ce)
 
Oberti R, Ottolini L, Della Ventura G, Parodi G C
Download am/vol86/AM86_1066.pdf
American Mineralogist 86 (2001) 1066-1075
On the symmetry and crystal chemistry of britholite:
New structural and microanalytical data
Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy
_database_code_amcsd 0002669
9.547 9.547 6.991 90 90 120 P6_3
atom     x      y      z occ Biso
Si1  .3990  .3718  .2513 .93  .68
B1   .3990  .3718  .2513 .03  .68
P1   .3990  .3718  .2513 .04  .68
Ca1    1/3    2/3 -.0048 .49  .85
Y1     1/3    2/3 -.0048 .02  .85
La1    1/3    2/3 -.0048 .11  .85
Ce1    1/3    2/3 -.0048 .21  .85
Pr1    1/3    2/3 -.0048 .02  .85
Nd1    1/3    2/3 -.0048 .06  .85
Sm1    1/3    2/3 -.0048 .01  .85
Th1    1/3    2/3 -.0048 .07  .85
U1     1/3    2/3 -.0048 .01  .85
Ca1a   2/3    1/3  .0001 .49  .82
Y1a    2/3    1/3  .0001 .02  .82
La1a   2/3    1/3  .0001 .11  .82
Ce1a   2/3    1/3  .0001 .21  .82
Pr1a   2/3    1/3  .0001 .02  .82
Nd1a   2/3    1/3  .0001 .06  .82
Sm1a   2/3    1/3  .0001 .01  .82
Th1a   2/3    1/3  .0001 .07  .82
U1a    2/3    1/3  .0001 .01  .82
Ca2  .2378 -.0116    .25 .49  .87
Y2   .2378 -.0116    .25 .02  .87
La2  .2378 -.0116    .25 .11  .87
Ce2  .2378 -.0116    .25 .21  .87
Pr2  .2378 -.0116    .25 .02  .87
Nd2  .2378 -.0116    .25 .06  .87
Sm2  .2378 -.0116    .25 .01  .87
Th2  .2378 -.0116    .25 .07  .87
U2   .2378 -.0116    .25 .01  .87
O1   .3229  .4886  .2532     1.45
O2   .5940  .4695  .2569     1.78
O3   .3168  .2431  .4218     2.11
O3a  .3580  .2604  .0595     1.35
OH4      0      0  .2359 .12 5.38
F4       0      0  .2359 .88 5.38
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Fluorbritholite-(Ce)
 
Oberti R, Ottolini L, Della Ventura G, Parodi G C
Download am/vol86/AM86_1066.pdf
American Mineralogist 86 (2001) 1066-1075
On the symmetry and crystal chemistry of britholite:
New structural and microanalytical data
Sample: LOS from Rouma Island, Guinea
_database_code_amcsd 0002670
9.682 9.682 7.066 90 90 120 P6_3
atom     x      y      z occ Biso
Si1  .4007  .3728  .2564 .85  .68
P1   .4007  .3728  .2564 .13  .68
Na1    1/3    2/3 -.0039 .25  .85
Ca1    1/3    2/3 -.0039 .17  .85
La1    1/3    2/3 -.0039 .24  .85
Ce1    1/3    2/3 -.0039 .28  .85
Pr1    1/3    2/3 -.0039 .02  .85
Nd1    1/3    2/3 -.0039 .04  .85
Na1a   2/3    1/3  .0060 .25  .82
Ca1a   2/3    1/3  .0060 .17  .82
La1a   2/3    1/3  .0060 .24  .82
Ce1a   2/3    1/3  .0060 .28  .82
Pr1a   2/3    1/3  .0060 .02  .82
Nd1a   2/3    1/3  .0060 .04  .82
Ca2  .2364 -.0133    .25 .23  .87
La2  .2364 -.0133    .25 .33  .87
Ce2  .2364 -.0133    .25 .37  .87
Pr2  .2364 -.0133    .25 .02  .87
Nd2  .2364 -.0133    .25 .05  .87
O1   .3246  .4868  .2589     1.45
O2   .5929  .4693  .2539     1.78
O3   .3120  .2445  .4174     2.11
O3a  .3650  .2650  .0633     1.35
OH4      0      0  .1771 .12 5.38
F4       0      0  .2359 .88 5.38
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Mottanaite-(Ce)
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002818
19.032 4.746 10.248 90 110.97 90 P2/a
atom     x      y     z  occ Biso
B1   .1732  .5316 .4513       .56
B2   .2542  .4670 .1331       .44
Si1  .1039  .4834 .6508       .50
Si2  .1126  .4992 .1612       .55
BeT  .0393  .5424 .8668 .590  .92
LiT  .0393  .5424 .8668 .013  .92
AlM1     0      0     0 .497  .74
FeM1     0      0     0 .384  .74
TiM1     0      0     0 .070  .74
MgM1     0      0     0 .035  .74
CaM2 .0424  .0149 .3612 .186  .56
LaM2 .0424  .0149 .3612 .228  .56
CeM2 .0424  .0149 .3612 .386  .56
YM2  .0424  .0149 .3612 .003  .56
PrM2 .0424  .0149 .3612 .034  .56
NdM2 .0424  .0149 .3612 .071  .56
SmM2 .0424  .0149 .3612 .004  .56
EuM2 .0424  .0149 .3612 .001  .56
GdM2 .0424  .0149 .3612 .003  .56
ThM2 .0424  .0149 .3612 .076  .56
UM2  .0424  .0149 .3612 .008  .56
CaM3 .2471  .0032 .6614       .72
CaM4 .1570 -.0285 .9314       .85
O1   .0443  .2410 .5674       .73
O2   .1778  .3191 .7546       .70
O3   .0697 -.3100 .7410      1.52
O4   .1320 -.3296 .5416       .75
F5   .0367  .1967 .8716 .245 1.12
OH5  .0367  .1967 .8716 .272 1.12
O6   .2466 -.2416 .8582       .97
O7   .1666  .2332 .4443       .59
O8   .1324  .6756 .3071      1.05
O9   .1861  .3259 .1584       .85
O10  .0852  .7237 .0369      1.55
O11  .0506  .2608 .1566      1.69
O12    .25  .3369     0       .59
O13    .25  .6495    .5       .62
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Ciprianiite
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002819
19.059 4.729 10.291 90 111.33 90 P2/a
atom     x     y     z  occ Biso
B1   .1733 .5268 .4515       .75
B2   .2529 .4618 .1329       .71
Si1  .1039 .4849 .6501       .64
Si2  .1127 .4975 .1616       .71
BeT   .038  .535  .869 .409 1.41
LiT   .038  .535  .869 .019 1.41
AlM1     0     0     0 .479  .73
FeM1     0     0     0 .377  .73
TiM1     0     0     0 .097  .73
MgM1     0     0     0 .047  .73
MnM1     0     0     0 .016  .73
CaM2 .0429 .0175 .3598 .302  .66
LaM2 .0429 .0175 .3598 .045  .66
CeM2 .0429 .0175 .3598 .176  .66
YM2  .0429 .0175 .3598 .008  .66
PrM2 .0429 .0175 .3598 .027  .66
NdM2 .0429 .0175 .3598 .095  .66
SmM2 .0429 .0175 .3598 .010  .66
EuM2 .0429 .0175 .3598 .001  .66
GdM2 .0429 .0175 .3598 .004  .66
DyM2 .0429 .0175 .3598 .001  .66
ThM2 .0429 .0175 .3598 .314  .66
UM2  .0429 .0175 .3598 .017  .66
CaM3 .2476 .0017 .6611       .88
CaM4 .1564 .9652 .9312       .85
H      .04   .42   .90 .272  1.6
O1   .0444 .2441 .5673       .85
O2   .1786 .3179 .7584       .87
O3   .0715 .6991 .7351      1.32
O4   .1331 .6672 .5411       .94
F5   .0370 .1935 .8700 .245 1.13
Oh5  .0370 .1935 .8700 .272 1.13
O6   .2471 .7583 .8585       .82
O7   .1680 .2285 .4464       .80
O8   .1330 .6707 .3090      1.02
O9   .1864 .3260 .1581       .97
O10  .0847 .7297 .0395      1.31
O11  .0520 .2556 .1558      1.30
O12    .25 .3353     0       .91
O13    .25 .6481    .5       .84
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Ferripedrizite
 
Caballero J M, Oberti R, Ottolini L
Download am/vol87/AM87_976.pdf
American Mineralogist 87 (2002) 976-982
Ferripedrizite, a new monoclinic Li amphibole end-member from the
Eastern Pedriza Massif, Sierra de Guadarrama, Spain, and a restatement
of the nomenclature of Mg-Fe-Mn-Li amphiboles
_database_code_amcsd 0002869
9.499 17.864 5.296 90 102.15 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)
O1    .1121 .0911 .2045      .61  .0014  .0005  .0064 -.0001  .0006      0
O2    .1217 .1736 .7311      .68  .0016  .0007  .0059  .0001  .0007  .0001
O3    .1145     0 .7011 .65  .94  .0024  .0007  .0096      0  .0002      0
F3    .1145     0 .7011 .35  .94  .0024  .0007  .0096      0  .0002      0
O4    .3747 .2503 .7826      .84  .0028  .0005  .0077 -.0004  .0004  .0001
O5    .3545 .1295 .0639      .82  .0017  .0010  .0064      0  .0008  .0009
O6    .3467 .1205 .5626      .90  .0020  .0011  .0057  .0001  .0003 -.0010
O7    .3395     0 .2803      .90  .0024  .0004  .0125      0  .0008      0
SiT1  .2856 .0864 .2779      .44  .0013  .0003  .0040      0  .0003 -.0001
SiT2  .2967 .1713 .7867      .46  .0014  .0004  .0040 -.0001  .0003      0
MgM1      0 .0878   1/2 .74  .62  .0020  .0005  .0051      0  .0011      0
FeM1      0 .0878   1/2 .26  .62  .0020  .0005  .0051      0  .0011      0
FeM2      0 .1810     0 .85  .53  .0014  .0004  .0048      0  .0004      0
AlM2      0 .1810     0 .10  .53  .0014  .0004  .0048      0  .0004      0
TiM2      0 .1810     0 .04  .53  .0014  .0004  .0048      0  .0004      0
ZnM2      0 .1810     0 .01  .53  .0014  .0004  .0048      0  .0004      0
LiM3      0     0     0 .64  .69  .0023  .0004  .0063      0  .0003      0
FeM3      0     0     0 .29  .69  .0023  .0004  .0063      0  .0003      0
MnM3      0     0     0 .07  .69  .0023  .0004  .0063      0  .0003      0
NaM4      0 .2636   1/2 .12 1.93  .0033  .0031  .0072      0  .0026      0
CaM4      0 .2636   1/2 .02 1.93  .0033  .0031  .0072      0  .0026      0
LiM4'     0 .2454   1/2 .85 1.05
NaAm  .0720   1/2 .1453 .26 2.68  .0114  .0120  .0325      0  .0149      0
KAm   .0720   1/2 .1453 .02 2.68  .0114  .0120  .0325      0  .0149      0
H     .1877     0 .7657 .65  .91
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Dravite
Download hom/dravite.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 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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Okanoganite-(Y)
Download hom/okanoganitey.pdf
Boiocchi M, Callegari A, Ottolini L, Maras A
Download am/vol89/AM89_1540.pdf
American Mineralogist 89 (2004) 1540-1545
The chemistry and crystal structure of okanoganite-(Y) and
comparison with vicanite-(Ce)
Sample: Golden Horn batholith near Washington Pass, Okanogan County
_database_code_amcsd 0003650
10.7108 10.7108 27.0398 90 90 120 R3m
atom      x      y      z occ  Uiso
Ce1  -.1304  .1304 -.3183 .72 .0102
Y1   -.1304  .1304 -.3183 .28 .0102
Ce2  -.1362  .1362  .1005 .75 .0124
Y2   -.1362  .1362  .1005 .25 .0124
Ca3   .1157 -.1157 -.0988 .59 .0184
Y3    .1157 -.1157 -.0988 .41 .0184
Y4    .1214 -.1214  .4681 .71 .0124
Ca4   .1214 -.1214  .4681 .29 .0124
Y5    .1379 -.1379  .2201 .87 .0112
Th5   .1379 -.1379  .2201 .13 .0112
Fe        0      0      0 .77 .0152
Ti        0      0      0 .23 .0152
Si1   .1694 -.1694  .0442     .0131
Si2  -.1707  .1707 -.0402     .0106
B1   -.0791  .0791  .2921     .0208
P3        0      0 -.2123  .6 .0151
Si3       0      0 -.2123  .4 .0151
Na        0      0 -.4242     .0267
O1    .0816 -.0816  .0469     .0169
O2    .1867 -.1867 -.0141     .0172
O3    .3257 -.0667  .0708     .0152
O4   -.0835  .0835 -.0495     .0171
O5   -.1909  .1909  .0188     .0143
O6   -.3312  .0791 -.0626     .0229
O7    .0770 -.0770  .3062     .0138
O8   -.0957  .0957  .2388     .0125
OH9   .0832 -.0832  .1453     .0202
O10       0      0 -.1518     .0254
O11   .1550  .0470 -.2330  .5 .0314
F12  -.0897  .0897 -.4885     .0208
F13       0      0 -.3390     .0199
F14   .0162  .3055 -.1607     .0280
OH        0      0  .4360     .0188
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Dellaventuraite
 
Tait K T, Hawthorne F C, Grice J D, Ottolini L, Nayak V K
Download am/vol90/AM90_304.pdf
American Mineralogist 90 (2005) 304-309
Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from
the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India
_database_code_amcsd 0003735
9.808 17.840 5.2848 90 104.653 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)
Mg1       0 .08163    .5 .39 .0100  .0087  .0167  .0057      0  .0041      0
Mn3+1     0 .08163    .5 .31 .0100  .0087  .0167  .0057      0  .0041      0
Ti4+1     0 .08163    .5 .30 .0100  .0087  .0167  .0057      0  .0041      0
Mg2       0 .17930     0 .50 .0070  .0084  .0073  .0062      0  .0032      0
Fe3+2     0 .17930     0 .36 .0070  .0084  .0073  .0062      0  .0032      0
Mn2+2     0 .17930     0 .09 .0070  .0084  .0073  .0062      0  .0032      0
Al2       0 .17930     0 .05 .0070  .0084  .0073  .0062      0  .0032      0
Li3       0 .17930     0 .90 .0070  .0084  .0073  .0062      0  .0032      0
Mg3       0      0     0 .07  .023   .027   .014   .024      0  -.003      0
Mn3+3     0      0     0 .03  .023   .027   .014   .024      0  -.003      0
Na4       0 .27565    .5 .86 .0160  .0202  .0137  .0197      0  .0154      0
Ca4       0 .27565    .5 .14 .0160  .0202  .0137  .0197      0  .0154      0
Si1  .27918 .08596 .2951     .0080  .0092  .0092  .0060  .0006  .0027 -.0001
Si2  .28818 .17064 .8011     .0071  .0086  .0067  .0064 -.0005  .0025 -.0001
O1    .1108  .0890 .2176     .0107   .010   .013   .009 -.0025  .0027 -.0006
O2    .1172  .1662 .7229     .0115  .0084   .016  .0109  .0005  .0045  .0001
O3    .1087      0 .6925     .0127   .011   .013   .014      0   .002      0
O4    .3596  .2500 .8029     .0125   .016  .0105   .014 -.0029  .0080 -.0022
O5    .3476  .1279 .0849     .0115  .0093  .0155  .0104  .0012  .0042  .0024
O6    .3461  .1190 .5862     .0115  .0126  .0144  .0079  .0027  .0032 -.0009
O7    .3364      0 .3005     .0124   .010   .009   .017      0   .002      0
NaAm   .017     .5  .039 .60  .018
KAm'   .051     .5  .104 .40  .018
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Fluoro-sodic-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
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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
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Phlogopite
Download hom/phlogopite.pdf
Mesto E, Schingaro E, Scordari F, Ottolini L
Download am/vol91/AM91_182.pdf
American Mineralogist 91 (2006) 182-190
An electron microprobe analysis, secondary ion mass spectrometry and single
crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
Consideration of cation partioning
Locality: Mt. Vulture, Potenza, Italy
Sample: LC7-1R
Note: mica
_database_code_amcsd 0004002
5.310 9.193 10.096 90 100.00 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)
K          0     0     0  .78  .028   .027   .024   .032      0   .004      0
Na         0     0     0  .12  .028   .027   .024   .032      0   .004      0
Ba         0     0     0  .05  .028   .027   .024   .032      0   .004      0
MgM1       0    .5    .5  .75  .010   .011   .006   .019      0   .005      0
Fe3+M1     0    .5    .5  .17  .010   .011   .006   .019      0   .005      0
Fe2+M1     0    .5    .5  .06  .010   .011   .006   .019      0   .005      0
LiM1       0    .5    .5  .02  .010   .011   .006   .019      0   .005      0
MgM2       0 .8431    .5  .45  .010   .008   .012   .012      0 -.0001      0
Fe2+M2     0 .8431    .5  .21  .010   .008   .012   .012      0 -.0001      0
Fe3+M2     0 .8431    .5 .115  .010   .008   .012   .012      0 -.0001      0
Ti4+M2     0 .8431    .5  .10  .010   .008   .012   .012      0 -.0001      0
Ti3+M2     0 .8431    .5 .025  .010   .008   .012   .012      0 -.0001      0
SiT    .5735 .1674 .2230  .64  .013   .012   .011   .015  -.000  .0027  -.001
AlT    .5735 .1674 .2230 .345  .013   .012   .011   .015  -.000  .0027  -.001
Ti4+T  .5735 .1674 .2230 .015  .013   .012   .011   .015  -.000  .0027  -.001
O1      .824 .2292 .1643       .024   .024   .023   .025  -.003   .004  -.003
O2      .515     0 .1666       .022   .025   .018   .023      0  -.001      0
O3     .6285 .1688 .3901       .014   .012   .011   .019  -.001   .002  -.001
OH4     .135     0 .4007  .55  .010   .014   .016   .005      0   .001      0
F4      .135     0 .4007 .415  .010   .014   .016   .005      0   .001      0
O4      .135     0 .4007  .02  .010   .014   .016   .005      0   .001      0
Cl4     .135     0 .4007  .01  .010   .014   .016   .005      0   .001      0
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Phlogopite
Download hom/phlogopite.pdf
Mesto E, Schingaro E, Scordari F, Ottolini L
Download am/vol91/AM91_182.pdf
American Mineralogist 91 (2006) 182-190
An electron microprobe analysis, secondary ion mass spectrometry and single
crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
Consideration of cation partioning
Locality: Mt. Vulture, Potenza, Italy
Sample: LC7-3Go
Note: mica
_database_code_amcsd 0004003
5.315 9.209 10.226 90 99.97 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)
K          0     0     0  .85  .032   .038   .035   .024      0   .004      0
Na         0     0     0  .11  .032   .038   .035   .024      0   .004      0
Ba         0     0     0  .02  .032   .038   .035   .024      0   .004      0
MgM1       0    .5    .5  .76  .012   .013   .011   .014      0   .003      0
Fe2+M1     0    .5    .5  .16  .012   .013   .011   .014      0   .003      0
Ti4+M1     0    .5    .5  .08  .012   .013   .011   .014      0   .003      0
MgM2       0 .8338    .5  .71  .011   .009   .010   .013      0  .0021      0
Fe2+M2     0 .8338    .5 .185  .011   .009   .010   .013      0  .0021      0
AlM2       0 .8338    .5 .065  .011   .009   .010   .013      0  .0021      0
TiM2       0 .8338    .5  .04  .011   .009   .010   .013      0  .0021      0
SiT    .5754 .1669 .2267 .665 .0088  .0080  .0092  .0092   .000  .0011  -.000
AlT    .5754 .1669 .2267 .335 .0088  .0080  .0092  .0092   .000  .0011  -.000
O1     .8318 .2238 .1699       .016   .016   .022   .012  -.002   .003  -.003
O2      .505     0 .1701       .016   .028   .012   .013      0  -.004      0
O3     .6311 .1668 .3923       .010   .008   .010   .014   .000   .001  -.001
OH4     .131     0 .3974  .90  .010   .015   .009   .007      0   .002      0
F4      .131     0 .3974  .06  .010   .015   .009   .007      0   .002      0
O4      .131     0 .3974  .04  .010   .015   .009   .007      0   .002      0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Mesto E, Schingaro E, Scordari F, Ottolini L
Download am/vol91/AM91_182.pdf
American Mineralogist 91 (2006) 182-190
An electron microprobe analysis, secondary ion mass spectrometry and single
crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
Consideration of cation partioning
Locality: Mt. Vulture, Potenza, Italy
Sample: LC7-27Go
Note: mica
_database_code_amcsd 0004004
5.346 9.257 10.312 90 99.97 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)
K          0     0     0  .90  .031   .034   .032   .027      0   .004      0
Na         0     0     0  .05  .031   .034   .032   .027      0   .004      0
Ba         0     0     0  .04  .031   .034   .032   .027      0   .004      0
MgM1       0    .5    .5  .82  .011   .010   .010   .015      0   .004      0
Fe2+M1     0    .5    .5  .12  .011   .010   .010   .015      0   .004      0
AlM1       0    .5    .5  .06  .011   .010   .010   .015      0   .004      0
MgM2       0 .8324    .5  .77  .012   .010   .012   .014      0  .0004      0
Fe2+M2     0 .8324    .5  .10  .012   .010   .012   .014      0  .0004      0
AlM2       0 .8324    .5  .09  .012   .010   .012   .014      0  .0004      0
TiM2       0 .8324    .5  .03  .012   .010   .012   .014      0  .0004      0
SiT    .5758 .1666 .2274  .67 .0131  .0123  .0130  .0145 -.0012  .0026  .0003
AlT    .5758 .1666 .2274 .315 .0131  .0123  .0130  .0145 -.0012  .0026  .0003
Fe3+T  .5758 .1666 .2274 .015 .0131  .0123  .0130  .0145 -.0012  .0026  .0003
O1     .8316 .2250 .1701       .023   .024   .027   .020  -.004   .006  -.002
O2      .507     0 .1702       .021   .029   .022   .014      0  -.001      0
O3     .6302 .1667 .3924       .016   .015   .014   .018   .001   .001   .001
OH4     .133     0 .3989 .805  .016   .017   .016   .017      0   .004      0
F4      .133     0 .3989 .185  .016   .017   .016   .017      0   .004      0
O4      .133     0 .3989  .01  .016   .017   .016   .017      0   .004      0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Piergorite-(Ce)
 
Boiocchi M, Callegari A, Ottolini L
Download am/vol91/AM91_1170.pdf
American Mineralogist 91 (2006) 1170-1177
The crystal structure of piergorite-(Ce),
Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2:
A new borosilicate from Vetralla, Italy,
with a modified hellandite-type chain
Locality: Vetralla, Italy
_database_code_amcsd 0004179
28.097 4.777 10.236 90 96.81 90 P2/a
atom       x      y      z occ  Uiso
CaM3A  .1601 -.0088 -.1185 .98 .0080
CeM3A  .1601 -.0088 -.1185 .02 .0080
CaM3B  .1580 -.0067 -.4445 .99 .0085
CeM3B  .1580 -.0067 -.4445 .01 .0085
CaM4A  .1009  .0342  .2068 .99 .0089
CeM4A  .1009  .0342  .2068 .01 .0089
CaM4B  .2188  .0092  .2401 .95 .0071
CeM4B  .2188  .0092  .2401 .05 .0071
CeM2   .0271 -.0207 -.3248 .46 .0059
CaM2   .0271 -.0207 -.3248 .39 .0059
ThM2   .0271 -.0207 -.3248 .15 .0059
AlM1       0      0      0 .49 .0072
Fe3+M1     0      0      0 .35 .0072
TiM1       0      0      0 .16 .0072
BeT    .0242  .4590  .1671 .27 .0046
LiT    .0242  .4590  .1671 .15 .0046
Si1A   .0720 -.4999 -.0636     .0065
Si1B     .25 -.4967     .5     .0060
Si2A     .25  .4846      0     .0067
Si2B   .0668 -.4797  .4400     .0057
B1A    .2055  .4633 -.2688     .0127
B1B    .1090  .4683 -.3024     .0075
B2A    .1594 -.4597  .3516     .0041
B2B    .1610 -.4667  .0887     .0046
O1     .2052 -.3206  .0369     .0067
O2     .2307  .3055 -.1330     .0148
O3     .2041 -.3107  .4348     .0079
O4     .2310  .3149 -.3803     .0088
O5     .0289 -.2418  .4686     .0093
O6     .0832  .3313 -.4256     .0080
O7     .1159 -.3214  .4018     .0069
O8     .0464  .3115  .3220     .0144
O9     .0329 -.2605 -.1112     .0181
O10    .0846  .3239 -.1923     .0104
O11    .0537  .2708  .0361     .0172
O12    .1188 -.3308  .0040     .0080
O13    .1614  .2406  .0812     .0066
O14    .1601  .2481  .3618     .0062
O15    .1066 -.2380 -.2998     .0075
O16    .1594 -.3405  .2195     .0063
O17    .2099 -.2457 -.2658     .0072
O18    .1575  .3437 -.2852     .0068
OH19   .0241 -.1944  .1615 .88 .0095
F19    .0241 -.1944  .1615 .12 .0095
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View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_1
_database_code_amcsd 0004525
5.3252 9.2205 10.2458 90 99.9938 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)
K           0      0      0       .0342  .0328  .0334  .0363      0  .0060      0
Mg2+M1      0     .5     .5 .8468 .0123  .0098  .0077  .0203      0  .0052      0
Fe2+M1      0     .5     .5 .1532 .0123  .0098  .0077  .0203      0  .0052      0
Mg2+M2      0 .83464     .5 .8319 .0138  .0091  .0127  .0196      0  .0029      0
Fe2+M2      0 .83464     .5 .1681 .0138  .0091  .0127  .0196      0  .0029      0
Si4+T  .57542 .16675 .22673 .4137 .0136  .0114  .0103  .0193      0  .0032  .0003
SiT    .57542 .16675 .22673 .5765 .0136  .0114  .0103  .0193      0  .0032  .0003
O1      .8310  .2255  .1694       .0219  .0189  .0228  .0245 -.0039  .0051 -.0032
O2      .5067      0  .1702       .0216   .023   .016   .025      0  .0011      0
O3      .6306  .1673  .3908       .0146  .0112  .0131  .0195 -.0003  .0027 -.0004
O4      .1321      0  .3992       .0148   .015   .014   .016      0  .0033      0
H        .106      0   .321 .7607 .0148   .015   .014   .016      0  .0033      0
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_2
_database_code_amcsd 0004526
5.3254 9.2216 10.2411 90 100.0223 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)
K           0      0      0       .0394  .0375  .0359  .0454      0  .0087      0
Mg2+M1      0     .5     .5 .8478 .0173  .0136  .0111  .0286      0  .0074      0
Fe2+M1      0     .5     .5 .1521 .0173  .0136  .0111  .0286      0  .0074      0
Mg2+M2      0  .8360     .5 .8109 .0194  .0135  .0170  .0282      0  .0050      0
Fe2+M2      0  .8360     .5 .1891 .0194  .0135  .0170  .0282      0  .0050      0
Si4+T  .57527 .16678 .22626 .4483 .0180  .0142  .0127  .0279 -.0002  .0057 -.0005
SiT    .57527 .16678 .22626 .5479 .0180  .0142  .0127  .0279 -.0002  .0057 -.0005
O1      .8315  .2245  .1692       .0271  .0226  .0287  .0315 -.0060  .0085 -.0032
O2      .5055      0  .1696       .0269   .031   .017   .031      0   .002      0
O3      .6302  .1675  .3913       .0181  .0135  .0136  .0280  .0002  .0055  .0004
O4      .1337      0  .4006       .0181   .016   .015   .024      0   .005      0
H        .103      0   .327 .9009 .0181   .016   .015   .024      0   .005      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_10
_database_code_amcsd 0004527
5.3380 9.2430 10.1923 90 100.0223 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)
K           0      0      0       .0292  .0272  .0277  .0331      0  .0061      0
Mg2+M1      0     .5     .5 .6593 .0115  .0116  .0072  .0163      0  .0043      0
Fe2+M1      0     .5     .5 .3407 .0115  .0116  .0072  .0163      0  .0043      0
Mg2+M2      0 .83813     .5 .6424 .0124  .0093  .0135  .0142      0 .00149      0
Fe2+M2      0 .83813     .5 .3569 .0124  .0093  .0135  .0142      0 .00149      0
Si4+T  .57472 .16706 .22445 .2912 .0101 .00869 .00913 .01244      0 .00202 -.0003
SiT    .57472 .16706 .22445 .7013 .0101 .00869 .00913 .01244      0 .00202 -.0003
O1      .8283 .22651 .16700       .0187  .0166  .0231  .0170 -.0057  .0044 -.0028
O2      .5089      0  .1682       .0189  .0239  .0145  .0169      0 -.0008      0
O3      .6307 .16822 .39132       .0118  .0114  .0109  .0134  .0003  .0023      0
O4      .1326      0  .3996       .0123  .0112  .0131  .0125      0  .0018      0
H        .108      0   .313 .7867 .0123  .0112  .0131  .0125      0  .0018      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_11
_database_code_amcsd 0004528
5.3367 9.2431 10.1806 90 100.1033 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)
K           0      0      0       .0298  .0257  .0268  .0376      0  .0074      0
Mg2+M1      0     .5     .5 .6897 .0128  .0119  .0080  .0195      0  .0057      0
Fe2+M1      0     .5     .5 .3105 .0128  .0119  .0080  .0195      0  .0057      0
Mg2+M2      0 .83933     .5 .6458 .0141  .0095  .0147  .0182      0  .0027      0
Fe2+M2      0 .83933     .5 .3542 .0141  .0095  .0147  .0182      0  .0027      0
Si4+T  .57436 .16733 .22395 .5401 .0123  .0094  .0110  .0169 -.0004  .0034  .0002
SiT    .57436 .16733 .22395 .4532 .0123  .0094  .0110  .0169 -.0004  .0034  .0002
O1      .8277  .2269  .1662       .0210  .0170  .0241  .0226 -.0058  .0050 -.0033
O2      .5087      0  .1673       .0202  .0256  .0151  .0186      0  .0006      0
O3      .6308  .1683  .3915       .0143  .0129  .0130  .0174  .0006  .0034  .0005
O4      .1331      0  .4001       .0137  .0107  .0154  .0146      0  .0014      0
H        .092      0   .321 .6645 .0137  .0107  .0154  .0146      0  .0014      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_13
_database_code_amcsd 0004529
5.3377 9.2424 10.1654 90 100.0990 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)
K           0      0      0       .0292  .0251  .0259  .0367      0  .0058      0
Mg2+M1      0     .5     .5 .7072 .0107  .0082  .0078  .0169      0  .0045      0
Fe2+M1      0     .5     .5 .2927 .0107  .0082  .0078  .0169      0  .0045      0
Mg2+M2      0 .84067     .5 .6401 .0129  .0068  .0159  .0160      0  .0017      0
Fe2+M2      0 .84067     .5 .3598 .0129  .0068  .0159  .0160      0  .0017      0
Si4+T  .57405 .16701 .22365 .3577 .0112  .0092  .0102  .0141 -.0001  .0020  .0001
SiT    .57405 .16701 .22365 .6352 .0112  .0092  .0102  .0141 -.0001  .0020  .0001
O1      .8267  .2278  .1657       .0202  .0178  .0247  .0189 -.0066  .0049 -.0039
O2      .5103      0  .1676       .0207  .0248  .0136  .0215      0 -.0021      0
O3      .6310  .1689 .39121       .0119  .0106  .0111  .0140  .0008  .0018 -.0006
O4      .1326      0  .4004       .0135  .0122  .0144  .0143      0  .0032      0
H        .105      0   .322 .6826 .0135  .0122  .0144  .0143      0  .0032      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Phlogopite
Download hom/phlogopite.pdf
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L
 
American Mineralogist 93 (2008) 426-437
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
rocks (Mt. Vulture, Italy) and volcanological implications
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem,
Mt. Vulture, Italy
Sample: VUT191_19
_database_code_amcsd 0004530
5.3341 9.2387 10.1569 90 100.0569 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)
K           0      0      0       .0287  .0253  .0245  .0365      0  .0061      0
Mg2+M1      0     .5     .5 .7150 .0112  .0086  .0065  .0192      0  .0048      0
Fe2+M1      0     .5     .5 .2848 .0112  .0086  .0065  .0192      0  .0048      0
Mg2+M2      0 .84109     .5 .6459 .0126  .0069  .0140  .0169      0  .0020      0
Fe2+M2      0 .84109     .5 .3539 .0126  .0069  .0140  .0169      0  .0020      0
Si4+T  .57393 .16714 .22369 .1900 .0110  .0086  .0089  .0154 -.0003  .0021 -.0002
SiT    .57393 .16714 .22369 .8001 .0110  .0086  .0089  .0154 -.0003  .0021 -.0002
O1      .8267  .2274  .1661       .0204  .0170  .0248  .0203 -.0067  .0052 -.0026
O2      .5093      0  .1675       .0204  .0283  .0107  .0206      0 -.0001      0
O3      .6305  .1687  .3914       .0120  .0107  .0089  .0165  .0001  .0028 -.0002
O4      .1334      0  .4006       .0132  .0111  .0128  .0160      0  .0032      0
H        .098      0   .316 .7209 .0132  .0111  .0128  .0160      0  .0032      0
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View JMOL 3-D Structure
 
Gadolinite-(Y)
Download hom/gadolinitey.pdf
Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F
 
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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Fluor-arfvedsonite
 
Hawthorne F C, Oberti R, Ottolini L
Download cm/vol34/CM34_1015.pdf
The Canadian Mineralogist 34 (1996) 1015-1019
Lithium-bearing fluor-arfvedsonite from Hurricane
Mountain, New Hampshire: a crystal-chemical study
Sample: H1 - 2[(K.32Na.68)Na2(Li.48Fe2.83Mn.10Zn.06Fe1.46Ti.07)
(Si7.88Al0.12)O22(F1.14{OH}.85)]
Locality: Hurricane Mountain, New Hampshire, USA
_database_code_amcsd 0005507
9.838 17.991 5.315 90 103.78 90 C2/m
atom       x      y     z occ Biso
SiT1   .2787  .0858 .2904 .97  .41
AlT1   .2787  .0858 .2904 .03  .41
SiT2   .2894  .1706 .8006      .42
FeM1       0 .08996    .5      .58
FeM2       0 .18220     0 .94  .50
TiM2       0 .18220     0 .03  .50
ZnM2       0 .18220     0 .03  .50
LiM3       0      0     0 .48  .61
FeM3       0      0     0 .42  .61
MnM3       0      0     0 .10  .61
NaM4       0 .27752    .5     1.20
NaA        0     .5     0 .14 1.71
KA         0     .5     0 .06 1.71
NaA(m) .0510     .5 .1070 .14 2.30
KA(m)  .0510     .5 .1070 .07 2.30
NaA(2)     0  .4870     0 .13 2.25
KA(2)      0  .4870     0 .06 2.25
O1     .1110  .0909 .2071      .59
O2     .1199  .1718 .7354      .62
F3     .1122      0 .7078 .58 1.11
OH3    .1122      0 .7078 .42 1.11
O4     .3647  .2490 .8009      .82
O5     .3490  .1274 .0797      .77
O6     .3407  .1200 .5787      .70
O7     .3329      0 .2987      .85
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Fluor-arfvedsonite
 
Hawthorne F C, Oberti R, Ottolini L
Download cm/vol34/CM34_1015.pdf
The Canadian Mineralogist 34 (1996) 1015-1019
Lithium-bearing fluor-arfvedsonite from Hurricane
Mountain, New Hampshire: a crystal-chemical study
Sample:H2 - 2[(K.25Na.75)Na2(Li.48Fe2.84Mn.11Zn.05Fe1.45Ti.07)
(Si7.89Al0.11)O22(F1.35{OH}.65)]
Locality: Hurricane Mountain, New Hampshire, USA
_database_code_amcsd 0005508
9.832 17.990 5.316 90 103.79 90 C2/m
atom       x      y     z occ Biso
SiT1   .2787  .0859 .2907 .97  .46
AlT1   .2787  .0859 .2907 .03  .46
SiT2   .2894  .1706 .8010 .97  .47
AlT2   .2894  .1706 .8010 .03  .47
FeM1       0 .08992    .5      .61
FeM2       0 .18222     0 .94  .54
TiM2       0 .18222     0 .03  .54
ZnM2       0 .18222     0 .03  .54
LiM3       0      0     0 .48  .60
LiM3       0      0     0 .41  .60
LiM3       0      0     0 .11  .60
NaM4       0 .27767    .5     1.19
NaA        0     .5     0 .37 1.19
KA         0     .5     0 .13 1.19
NaA(m) .0468     .5 .1028 .19 2.93
KA(m)  .0468     .5 .1028 .06 2.93
O1     .1106  .0911 .2072      .65
O2     .1199  .1721 .7353      .66
F3     .1125      0 .7081 .68 1.12
OH3    .1125      0 .7081 .32 1.12
O4     .3649  .2489 .8008      .86
O5     .3489  .1276 .0811      .81
O6     .3407  .1201 .5784      .77
O7     .3328      0 .2995      .90
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Staurolite
Download hom/staurolite.pdf
Oberti R, Hawthorne F C, Zanetti A, Ottolini L
Download cm/vol34/CM34_1051.pdf
The Canadian Mineralogist 34 (1996) 1051-1057
Crystal-structure refinement of a highly ordered staurolite
_database_code_amcsd 0005514
7.877 16.609 5.665 90 90.68 90 C2/m
atom      x      y      z occ Biso
SiT1 .13379 .16615 .24544      .30
FeT2 .38950      0 .23730 .34  .64
ZnT2 .38950      0 .23730  .6  .64
MgT2 .38950      0 .23730 .06  .64
Al1a     .5 .17458      0 .91  .21
Mg1a     .5 .17458      0 .09  .21
Al1b     .5 .17502     .5 .91  .30
Mg1b     .5 .17502     .5 .09  .30
Al2  .26292 .41040 .25527 .97  .38
Mg2  .26292 .41040 .25527 .02  .38
Ti2  .26292 .41040 .25527 .01  .38
Al3a      0      0      0 .44  .42
Mg3a      0      0      0 .06  .42
Al3b      0      0     .5 .44 1.69
Mg3b      0      0     .5 .06 1.69
FeM4     .5      0      0 .01  .87
O1a  .23322      0 .95742      .57
O1b  .23857      0 .52372      .52
O2a  .25648 .16152 .01521      .41
O2b  .25231 .16101 .48307      .47
O3   .00126 .08935 .23690      .47
O4   .02272 .24946 .24778      .49
O5   .52685 .09893 .24905      .43
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Sodic-ferri-ferropedrizite
 
Oberti R, Camara F, Caballero J M, Ottolini L
Download cm/vol41/CM41_1345.pdf
The Canadian Mineralogist 41 (2003) 1345-1354
Sodic-ferri-ferropedrizite and ferri-clinoferroholmquistite: mineral data and
degree of order of the A-site cations in Li-rich amphiboles
Sequence number in the CNR-IGG database: SEQ 1039
_database_code_amcsd 0005890
9.496 17.883 5.297 90 102.06 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)
NaAm  .0750   1/2 .1514 .53 2.52  .0109  .0012  .0283      0  .0131      0
KAm   .0750   1/2 .1514 .03 2.52  .0109  .0012  .0283      0  .0131      0
FeM4      0 .2703   1/2 .30 2.06  .0029  .0031  .0139      0  .0051      0
CaM4      0 .2703   1/2 .01 2.06  .0029  .0031  .0139      0  .0051      0
NaM4      0 .2703   1/2 .03 2.06  .0029  .0031  .0139      0  .0051      0
LiM4'     0 .2542   1/2 .61 1.76  .0036  .0025  .0089      0  .0016      0
CaM4'     0 .2542   1/2 .01 1.76  .0036  .0025  .0089      0  .0016      0
NaM4'     0 .2542   1/2 .04 1.76  .0036  .0025  .0089      0  .0016      0
MgM1      0 .0882   1/2 .50  .55  .0018  .0005  .0044      0  .0011      0
FeM1      0 .0882   1/2 .50  .55  .0018  .0005  .0044      0  .0011      0
FeM2      0 .1814     0 .83  .47  .0013  .0004  .0044      0  .0005      0
AlM2      0 .1814     0 .11  .47  .0013  .0004  .0044      0  .0005      0
TiM2      0 .1814     0 .06  .47  .0013  .0004  .0044      0  .0005      0
LiM3      0     0     0 .58  .60  .0020  .0003  .0058      0  .0003      0
LiM3      0     0     0 .07  .60  .0020  .0003  .0058      0  .0003      0
MnM3      0     0     0 .35  .60  .0020  .0003  .0058      0  .0003      0
SiT1  .2857 .0864 .2767      .40  .0013  .0003  .0035  .0000  .0004  .0000
SiT2  .2969 .1712 .7860      .42  .0013  .0003  .0034 -.0001  .0004  .0000
O1    .1119 .0915 .2033      .55  .0013  .0005  .0052  .0000  .0004  .0000
O2    .1219 .1741 .7316      .61  .0014  .0006  .0055  .0000  .0006  .0002
O3    .1152     0 .7019 .72  .91  .0025  .0007  .0091      0  .0008      0
F3    .1152     0 .7019 .28  .91  .0025  .0007  .0091      0  .0008      0
O4    .3754 .2501 .7817      .79  .0026  .0005  .0074 -.0005  .0002  .0001
O5    .3546 .1292 .0626      .78  .0017  .0009  .0060  .0000  .0008  .0011
O6    .3466 .1206 .5615      .86  .0019  .0010  .0055  .0002  .0004 -.0011
O7    .3388     0 .2802      .85  .0022  .0003  .0127      0  .0008      0
H      .189     0  .734 .72 1.55
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Ferri-clinoferroholmquistite
 
Oberti R, Camara F, Caballero J M, Ottolini L
Download cm/vol41/CM41_1345.pdf
The Canadian Mineralogist 41 (2003) 1345-1354
Sodic-ferri-ferropedrizite and ferri-clinoferroholmquistite: mineral data and
degree of order of the A-site cations in Li-rich amphiboles
Sequence number in the CNR-IGG database: SEQ 1043
_database_code_amcsd 0005891
9.462 17.898 5.302 90 101.88 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)
NaAm  .0783   1/2 .1545 .28 2.66  .0095  .0014  .0314      0  .0099      0
LiM4'     0 .2571   1/2 .95 2.03  .0046  .0027  .0112      0  .0036      0
CaM4'     0 .2571   1/2 .01 2.03  .0046  .0027  .0112      0  .0036      0
NaM4'     0 .2571   1/2 .04 2.03  .0046  .0027  .0112      0  .0036      0
MgM1      0 .0890   1/2 .51  .57  .0019  .0004  .0054      0  .0012      0
FeM1      0 .0890   1/2 .49  .57  .0019  .0004  .0054      0  .0012      0
FeM2      0 .1820     0 .86  .49  .0014  .0004  .0049      0  .0006      0
AlM2      0 .1820     0 .13  .49  .0014  .0004  .0049      0  .0006      0
ZnM2      0 .1820     0 .01  .49  .0014  .0004  .0049      0  .0006      0
LiM3      0     0     0 .28  .61  .0021  .0004  .0057      0  .0005      0
MnM3      0     0     0 .14  .61  .0021  .0004  .0057      0  .0005      0
FeM3      0     0     0 .54  .61  .0021  .0004  .0057      0  .0005      0
MgM3      0     0     0 .04  .61  .0021  .0004  .0057      0  .0005      0
SiT1  .2869 .0864 .2761      .44  .0013  .0003  .0045  .0000  .0006  .0000
SiT2  .2975 .1712 .7854     .460  .0014  .0003  .0044 -.0001  .0006  .0000
O1    .1122 .0914 .2020      .60  .0013  .0005  .0065  .0000  .0006  .0000
O2    .1219 .1742 .7314      .62  .0014  .0005  .0064  .0000  .0007  .0001
O3    .1148     0 .7022 .90  .87  .0022  .0007  .0092      0  .0007      0
F3    .1148     0 .7022 .10  .87  .0022  .0007  .0092      0  .0007      0
O4    .3759 .2501 .7805      .80  .0027  .0005  .0080 -.0004  .0007  .0002
O5    .3549 .1297 .0617      .80  .0017  .0008  .0072  .0000  .0009  .0010
O6    .3468 .1207 .5604      .89  .0020  .0010  .0063  .0002  .0005 -.0010
O7    .3389     0 .2796      .87  .0024  .0002  .0144      0  .0013      0
H      .198     0  .744 .90 2.77
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Wiluite
 
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A
Download cm/vol43/CM43_1457.pdf
The Canadian Mineralogist 43 (2005) 1457-1468
Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure
Locality: Ariccia, Latium, Italy
_database_code_amcsd 0006057
15.716 15.716 11.704 90 90 90 *P4/nnc
.25 .25 .25
atom         x       y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX1       .75     .25    .25        .0092  .0137  .0080  .0058      0      0      0
CaX2   -.19038  .04495 .37987 .97875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
MgX2   -.19038  .04495 .37987 .01875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
SrX2   -.19038  .04495 .37987  .0025 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
CaX3   -.10090 -.17893 .89483 .97861 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
LaX3   -.10090 -.17893 .89483 .00625 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CeX3   -.10090 -.17893 .89483   .005 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
NdX3   -.10090 -.17893 .89483 .00125 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CaX4       .75     .75 .14318     .5 .0105  .0087  .0087  .0142      0      0      0
Fe3+Y1     .75     .75 .05586    .18 .0188  .0102  .0102  .0359      0      0      0
TiY1       .75     .75 .05586   .135 .0188  .0102  .0102  .0359      0      0      0
MgY1       .75     .75 .05586    .13 .0188  .0102  .0102  .0359      0      0      0
MnY1       .75     .75 .05586   .055 .0188  .0102  .0102  .0359      0      0      0
AlY2         0       0      0  .9175 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
Fe3+Y2       0       0      0  .0475 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY2         0       0      0   .035 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY3   -.11165  .12018 .12789 .41875 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
AlY3   -.11165  .12018 .12789 .41125 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
Fe3+Y3 -.11165  .12018 .12789    .17 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
BT1     .05304  .05304    .25   .545 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
AlT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BeT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
HT1     .05304  .05304    .25  .1175 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BT2        .25     .25    .25    .68 .0100
HT2        .25     .25  .2070    .16 .0200
SiZ1       .75     .25      0        .0069  .0075  .0075  .0056      0      0      0
SiZ2   -.17859  .04304 .87208        .0099  .0096  .0129  .0073  .0017 -.0006  .0018
SiZ3   -.08389 -.15020 .36491        .0079  .0099  .0070  .0070  .0014  .0006  .0003
O1     -.21994  .17280 .08462        .0107  .0140  .0092  .0090  .0000 -.0005  .0008
O2     -.12070  .16054 .28284        .0127  .0166  .0102  .0113 -.0002 -.0046  .0014
O3     -.04282  .22472 .07802        .0133  .0173  .0126  .0101  .0056  .0029  .0020
O4     -.06177  .10461 .47133        .0103  .0122  .0097  .0091  .0004 -.0018  .0008
O5     -.17148  .01169 .17953        .0117  .0119  .0131  .0101  .0048  .0004 -.0014
O6     -.12105 -.27629 .05351        .0148  .0190  .0122  .0133  .0021  .0023  .0053
O7A     .05565   .1760  .3201     .5 .0102
O7B      .0445   .1466  .3069     .5 .0172
O8     -.06037 -.09201 .06654        .0099  .0089  .0093  .0114  .0018  .0017 -.0003
O9     -.14607 -.14607    .25        .0124  .0136  .0136  .0099 -.0018 -.0015  .0015
O10        .75     .75  .8700    .66 .0305  .0317  .0317  .0279      0      0      0
O11A    -.0030   .0628  .1351 .48438 .0079
O11B    -.0013   .0536  .1543 .36438 .0109
F11B    -.0013   .0536  .1543 .15124 .0109
O12      .1772   .2733  .2044    .34 .0263
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Oxykinoshitalite
 
Kogarko L N, Uvarova Y A, Sokolova E, Hawthorne F C, Ottolini L, Grice J D
Download cm/vol43/CM43_1501.pdf
The Canadian Mineralogist 43 (2005) 1501-1510
Oxykinoshitalite, a new species of mica from Fernando-do-Noronha island, Brazil:
Occurrence and crystal structure
Locality: Fernando-do-Noronha island, Brazil
_database_code_amcsd 0006061
5.3516 9.2817 10.0475 90 100.337 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)
BaI        0      0      0  .47 .0229  .0197  .0205  .0285      0  .0046      0
KI         0      0      0  .42 .0229  .0197  .0205  .0285      0  .0046      0
NaI        0      0      0  .06 .0229  .0197  .0205  .0285      0  .0046      0
CaI        0      0      0  .01 .0229  .0197  .0205  .0285      0  .0046      0
MgM1       0     .5     .5  .52 .0102  .0082  .0065  .0167      0  .0043      0
Fe2+M1     0     .5     .5  .13 .0102  .0082  .0065  .0167      0  .0043      0
Fe3+M1     0     .5     .5  .27 .0102  .0082  .0065  .0167      0  .0043      0
Ti4+M1     0     .5     .5  .08 .0102  .0082  .0065  .0167      0  .0043      0
MgM2       0 .15509     .5  .42 .0127  .0067  .0175  .0139      0  .0014      0
Ti4+M2     0 .15509     .5 .335 .0127  .0067  .0175  .0139      0  .0014      0
Fe3+M2     0 .15509     .5 .165 .0127  .0067  .0175  .0139      0  .0014      0
Fe2+M2     0 .15509     .5 .075 .0127  .0067  .0175  .0139      0  .0014      0
MnM2       0 .15509     .5 .005 .0127  .0067  .0175  .0139      0  .0014      0
SiT    .5736 .16750 .22032 .578 .0111  .0083  .0106  .0145 -.0005  .0024  .0001
AlT    .5736 .16750 .22032  .39 .0111  .0083  .0106  .0145 -.0005  .0024  .0001
O1     .8179  .2354  .1586      .0227  .0192  .0287  .0210 -.0075  .0060 -.0030
O2     .6314  .1709  .3903      .0135  .0120  .0107  .0180 -.0007  .0031  .0007
O3     .5223      0  .1603      .0202   .029  .0163   .013      0 -.0012      0
O4     .1257      0  .3964  .72 .0160  .0093   .023   .016      0  .0031      0
OH4    .1257      0  .3964 .155 .0160  .0093   .023   .016      0  .0031      0
F4     .1257      0  .3964 .125 .0160  .0093   .023   .016      0  .0031      0
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Beryl
Download hom/beryl.pdf
Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B,
Schultz A J, Ottolini L
 
The Canadian Mineralogist 48 (2010) 597-613
Crystal chemistry of dark blue aquamarine from the True Blue showing,
Yukon Territory, Canada
Note: X-ray
Locality: True Blue showing, Yukon Territory, Canada
_database_code_amcsd 0006282
9.2909 9.2909 9.1996 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25      .0087  .0096   .008  .0078  .0041      0      0
Al      1/3    2/3    .25 .678 .0058  .0055  .0055  .0065  .0027      0      0
Mg      1/3    2/3    .25 .129 .0058  .0055  .0055  .0065  .0027      0      0
Fe      1/3    2/3    .25 .192 .0058  .0055  .0055  .0065  .0027      0      0
Si   .38506 .11197      0      .0057  .0060  .0055  .0059  .0031      0      0
O1    .3044  .2300      0      .0138  .0144  .0121  .0194  .0100      0      0
O2   .49435 .14133 .14509      .0106  .0134  .0130  .0079  .0084 -.0024 -.0003
Na        0      0      0 .425  .017   .011   .011   .028  .0055      0      0
OW        0      0    .25 .912  .049   .060   .060   .028   .030      0      0
H        .0    .09    .19 .912   .05
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Beryl
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Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B,
Schultz A J, Ottolini L
 
The Canadian Mineralogist 48 (2010) 597-613
Crystal chemistry of dark blue aquamarine from the True Blue showing,
Yukon Territory, Canada
Note: neutron
Locality: True Blue showing, Yukon Territory, Canada
_database_code_amcsd 0006283
9.258 9.258 9.156 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25      .0073  .0078  .0074  .0067  .0037      0      0
Al      1/3    2/3    .25 .678 .0056  .0056  .0056  .0056  .0028      0      0
Mg      1/3    2/3    .25 .129 .0056  .0056  .0056  .0056  .0028      0      0
Fe      1/3    2/3    .25 .192 .0056  .0056  .0056  .0056  .0028      0      0
Si    .3855  .1123      0      .0052  .0057  .0052  .0050  .0029      0      0
O1    .3047  .2302      0      .0113  .0118  .0112  .0151  .0089      0      0
O2   .49500 .14196 .14519      .0089  .0110  .0124  .0061  .0080 -.0011 -.0006
Na        0      0      0 .432  .011   .009   .009   .015   .004      0      0
OW        0      0    .25 .912 .0186   .021   .021   .014  .0105      0      0
H      .025   .094   .181 .912  .052
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Fluor-dravite
 
Clark C M, Hawthorne F C, Ottolini L
 
The Canadian Mineralogist 49 (2011) 57-62
Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline
group from the Crabtree Emerald mine, Mitchell County, North Carolina:
Description and crystal structure
Locality: the Crabtree Emerald mine, Mitchell County, North Carolina, USA
_database_code_amcsd 0018741
15.955 15.955 7.153 90 90 120 R3m
atom       x      y       z occ  Uiso
NaX        0      0  .84080 .88 .0209
CaX        0      0  .84080 .04 .0209
MgY   .06312 .93688  .44473 .43 .0088
FeY   .06312 .93688  .44473 .29 .0088
AlY   .06312 .93688  .44473 .19 .0088
MnY   .06312 .93688  .44473 .03 .0088
TiY   .06312 .93688  .44473 .01 .0088
LiY   .06312 .93688  .44473 .04 .0088
AlZ   .26174 .29827  .45757 .91 .0071
MgZ   .26174 .29827  .45757 .09 .0071
SiT   .19009 .19191  .07041     .0067
B     .88998 .11002  .61615     .0082
F1         0      0  .29119 .61 .0197
OH1        0      0  .29119 .39 .0197
OH2   .93841 .06159  .59029     .0122
O3    .13491 .86509  .55913     .0114
O4    .90702 .09298  .00075     .0109
O5    .09271 .90729 -.02049     .0108
O6    .18803 .19746  .29369     .0094
O7    .28527 .28493 -.01074     .0092
O8    .27133 .21031  .62784     .0100
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Fluor-liddicoatite
 
Aurisicchio C, Demartin F, Ottolini L, Pezzotta F
 
European Journal of Mineralogy 11 (1999) 237-242
Homogeneous liddicoatite from Madagascar: a possible
reference material? First EMPA, SIMS and SREF data
Sample: 1
Locality: Madagascar
_database_code_amcsd 0006766
15.880 15.880 7.118 90 90 120 R3m
atom      x      y       z  occ Biso
CaX       0      0   .2339 .483 .643
NaX       0      0   .2339 .412 .643
KX        0      0   .2339 .105 .643
LiY  .93831 .06169   .6289  2/3 .673
AlY  .93831 .06169   .6289  1/3 .673
AlZ  .29730 .26033  .61097      .466
Si   .19208 .19020 -.00105      .377
B    .10932 .89068   .4528       .56
F1    .9887  .0113   .7868 .109 1.24
O1    .9887  .0113   .7868 .127 1.24
OH1   .9887  .0113   .7868 .097 1.24
OH1   .2695 .13475   .5085       .84
O2   .06062 .93938   .4782      1.60
O3   .09253 .18506   .0719       .73
O4    .1849 .09245   .0938       .76
O5   .19663 .18679   .7751       .66
O6   .28586 .28578   .0803       .57
O7   .20966 .27029   .4409       .68
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Fluor-liddicoatite
 
Aurisicchio C, Demartin F, Ottolini L, Pezzotta F
 
European Journal of Mineralogy 11 (1999) 237-242
Homogeneous liddicoatite from Madagascar: a possible
reference material? First EMPA, SIMS and SREF data
Sample: 2
Locality: Madagascar
_database_code_amcsd 0006767
15.882 15.882 7.115 90 90 120 R3m
atom      x      y      z  occ Biso
CaX       0      0  .2361 .452  .66
NaX       0      0  .2361 .435  .66
KX        0      0  .2361  .04  .66
LiY  .93825 .06175  .6308  2/3 .651
AlY  .93825 .06175  .6308  1/3 .651
AlZ  .29725 .26030 .61261      .460
Si   .19207 .19018 .00057      .360
B    .10938 .89062  .4548       .54
F1    .9888  .0112  .7874 .109 1.33
O1    .9888  .0112  .7874 .094 1.33
OH1   .9888  .0112  .7874 .130 1.33
OH1   .2696  .1348  .5099       .86
O2   .06047 .93953  .4800      1.60
O3   .09251 .18502  .0736       .74
O4    .1849 .09245  .0953       .75
O5   .19646 .18665  .7768       .63
O6   .28575 .28560  .0820       .56
O7   .20969 .27035  .4429       .66
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Phlogopite
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L
 
Physics and Chemistry of Minerals 35 (2008) 163-174
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
appraisal by a multi-methodic approach
Locality: Mt. Vulture, Italy
Note: Sample LC6_R7
_database_code_amcsd 0018308
5.3416 9.2411 10.2332 90 99.983 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)
K         0     .5      0      .0328   .028   .028   .043      0  .0077      0
MgM1      0      0     .5 .799 .0101  .0075  .0068  .0170      0  .0047      0
FeM1      0      0     .5 .201 .0101  .0075  .0068  .0170      0  .0047      0
MgM2      0  .3375     .5 .718 .0111  .0064  .0111  .0157      0  .0014      0
FeM2      0  .3375     .5 .282 .0111  .0064  .0111  .0157      0  .0014      0
Si    .0748  .1671  .2254      .0099  .0070  .0075  .0154  .0001  .0027 -.0001
O1    .3286  .2271  .1690      .0194   .017   .022   .021 -.0053  .0056  -.004
O2    .0105      0  .1703      .0201   .025   .014   .020      0   .000      0
O3    .1317  .1682  .3925      .0108  .0078  .0084   .016 -.0003  .0026  .0001
O4    .1334     .5  .4001      .0113   .010   .010   .014      0   .003      0
H       .11     .5   .311 .795 .0113   .010   .010   .014      0   .003      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L
 
Physics and Chemistry of Minerals 35 (2008) 163-174
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
appraisal by a multi-methodic approach
Locality: Mt. Vulture, Italy
Note: Sample LC6_R29
_database_code_amcsd 0018309
5.3400 9.2376 10.2414 90 100.014 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)
K         0     .5      0      .0313   .026   .025   .044      0   .008      0
MgM1      0      0     .5 .778 .0105   .008   .007   .017      0   .004      0
FeM1      0      0     .5 .222 .0105   .008   .007   .017      0   .004      0
MgM2      0  .3371     .5 .705 .0114  .0080  .0104  .0155      0  .0017      0
FeM2      0  .3371     .5 .295 .0114  .0080  .0104  .0155      0  .0017      0
Si    .0747  .1672  .2251      .0106  .0087  .0088  .0143 -.0007  .0023 -.0009
O1    .3274  .2287  .1690      .0228   .020   .030   .019  -.011   .005  -.005
O2     .013      0  .1708      .0221   .030   .013   .021      0  -.002      0
O3    .1317  .1693  .3923      .0138   .013   .013   .015   .000   .002   .000
O4     .132     .5  .3997      .0158   .016   .015   .017      0   .005      0
H       .11     .5   .310 .777 .0158   .016   .015   .017      0   .005      0
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Phlogopite
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L
 
Physics and Chemistry of Minerals 35 (2008) 163-174
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
appraisal by a multi-methodic approach
Locality: Mt. Vulture, Italy
Note: Sample LC7_R2
_database_code_amcsd 0018310
5.3369 9.2355 10.2267 90 100.050 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)
K         0     .5      0      .0345   .027   .030   .047      0   .008      0
MgM1      0      0     .5 .805 .0129   .008   .008   .024      0   .006      0
FeM1      0      0     .5 .195 .0129   .008   .008   .024      0   .006      0
MgM2      0  .3352     .5 .765 .0137  .0063  .0127   .022      0  .0024      0
FeM2      0  .3352     .5 .235 .0137  .0063  .0127   .022      0  .0024      0
Si    .0751  .1672  .2256      .0125  .0072  .0108  .0197  .0001  .0030 -.0002
O1    .3277  .2285  .1695      .0218   .016   .023   .027  -.005   .006  -.002
O2    .0129      0  .1704      .0214   .024   .013   .026      0   .001      0
O3    .1307  .1683  .3919      .0141   .009   .013   .021   .001   .004   .001
O4    .1327     .5  .4004      .0121   .011   .012   .013      0   .001      0
H       .09     .5   .311 .536 .0121   .011   .012   .013      0   .001      0
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Phlogopite
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L
 
Physics and Chemistry of Minerals 35 (2008) 163-174
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
appraisal by a multi-methodic approach
Locality: Mt. Vulture, Italy
Note: Sample LC7_R4
_database_code_amcsd 0018311
5.3237 9.2149 10.1597 90 99.970 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)
K         0     .5      0       .0295  .0275  .0274  .0337      0  .0057      0
MgM1      0      0     .5 .7679 .0101  .0089  .0079  .0143      0  .0039      0
FeM1      0      0     .5 .2321 .0101  .0089  .0079  .0143      0  .0039      0
MgM2      0 .34164     .5 .6534 .0117  .0077  .0143  .0131      0  .0015      0
FeM2      0 .34164     .5 .3466 .0117  .0077  .0143  .0131      0  .0015      0
Si   .07345 .16719 .22403       .0097  .0087  .0087  .0117  .0001  .0019  .0001
O1    .3274  .2270  .1664       .0181  .0164  .0220  .0164 -.0051  .0046 -.0031
O2    .0088      0  .1682       .0183  .0234  .0129  .0173      0      0      0
O3    .1297  .1685  .3915       .0104  .0095  .0098  .0121  .0004  .0018  .0001
O4    .1356     .5  .4013       .0109  .0107  .0113  .0110      0  .0030      0
H       .12     .5   .315  .195 .0109  .0107  .0113  .0110      0  .0032      0
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Phlogopite
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L
 
Physics and Chemistry of Minerals 35 (2008) 163-174
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
appraisal by a multi-methodic approach
Locality: Mt. Vulture, Italy
Note: Sample LC7_R5
_database_code_amcsd 0018312
5.3269 9.2220 10.1290 90 100.027 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)
K         0     .5      0       .0278  .0262  .0242  .0331      0  .0053      0
MgM1      0      0     .5 .7154 .0098  .0089  .0069  .0140      0  .0035      0
FeM1      0      0     .5 .2846 .0098  .0089  .0069  .0140      0  .0035      0
MgM2      0 .34366     .5 .5922 .0112  .0073  .0131  .0130      0  .0013      0
FeM2      0 .34366     .5 .4078 .0112  .0073  .0131  .0130      0  .0013      0
Si   .07316 .16730 .22292       .0094  .0087  .0078  .0117      0  .0016  .0002
O1    .3256  .2285  .1652       .0190  .0177  .0219  .0177 -.0058  .0043 -.0030
O2    .0112      0  .1673       .0197  .0273  .0129  .0174      0      0      0
O3    .1300 .16904 .39149       .0103  .0103  .0091  .0113 -.0004  .0014 -.0004
O4    .1359     .5  .4010       .0117  .0123  .0110  .0119      0  .0028      0
H       .09     .5   .312  .120 .0117  .0123  .0110  .0119      0  .0028      0
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Sazhinite-(La)
 
Camara F, Ottolini L, Devouard B, Garvie L A J, Hawthorne F C
 
Mineralogical Magazine 70 (2006) 405-418
Sazhinite-(La), Na3LaSi6O15(H2O)2, a new mineral from the
Aris phonolite, Nambia: description and crystal structure
Locality: Aris phonolite, Nambia
_database_code_amcsd 0014578
7.415 15.515 7.164 90 90 90 Pmm2
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      .5 .2550 .0622     .036   .018   .038   .051  -.022      0      0
Na2   .2209    .5 .9298     .068   .055   .112   .037      0  -.024      0
Na3   .2585 .0745 .2553  .5 .037
LaM       0 .2602  .049 .41 .007   .009   .007   .006  -.001      0      0
CeM       0 .2602  .049 .35 .007   .009   .007   .006  -.001      0      0
NdM       0 .2602  .049 .04 .007   .009   .007   .006  -.001      0      0
PrM       0 .2602  .049 .02 .007   .009   .007   .006  -.001      0      0
ThM       0 .2602  .049 .09 .007   .009   .007   .006  -.001      0      0
CaM       0 .2602  .049 .08 .007   .009   .007   .006  -.001      0      0
Si1   .2923 .0988 .7992 .99 .007   .006   .007   .007  -.001  -.001   .002
S1    .2923 .0988 .7992 .01 .007   .006   .007   .007  -.001  -.001   .002
Si2   .2937 .4018 .3404 .99 .011   .007   .009   .015  -.001  -.001  -.002
S2    .2937 .4018 .3404 .01 .011   .007   .009   .015  -.001  -.001  -.002
Si3       0 .1661 .5415 .99 .007   .006   .008   .007      0      0      0
S3        0 .1661 .5415 .01 .007   .006   .008   .007      0      0      0
Si4       0 .3609 .6395 .99 .008   .008   .009   .007   .002      0      0
S4        0 .3609 .6395 .01 .008   .008   .009   .007   .002      0      0
O1    .2614     0 .8691     .014   .015   .012   .015      0   .003      0
O2    .2477 .3357 .1810     .029   .027   .019   .042  -.015  -.007  -.004
O3    .2428 .1635 .9606     .015   .015   .015   .014  -.007  -.001   .003
O4    .1769 .1128 .6089     .016   .014   .019   .015  -.002  -.005   .008
O5    .1768 .3915 .5307     .029   .017   .035   .036   .012   .016  -.006
O6    .2648    .5 .2635     .016   .022   .009   .017      0  -.002      0
O7        0 .1760 .3234     .014   .023   .016   .004   .003      0      0
O8        0 .2556 .6594     .017   .027   .008   .017  -.001      0      0
O9        0 .3932 .8484     .028   .057   .017   .009  -.002      0      0
O10      .5 .1084 .7316     .014   .001   .016   .026   .005      0      0
O11      .5 .3936 .4151     .019   .010   .024   .025   .005      0      0
Wat12    .5 .3873 .8318     .040
Wat13     0     0 .2010  .5 .066
Wat14 .4210 .1068 .2800  .5 .074
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Total number of retrieved datasets: 68
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