American Mineralogist Crystal Structure Database

55 matching records for this search.

Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A1
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001655
9.748 17.842 5.287 90 104.12 90 C2/m
atom     x     y     z  occ Biso
Si1  .2811 .0857 .2929       .41
Si2  .2889 .1710 .7998       .42
Mg1      0 .0823    .5  .57  .72
Al1      0 .0823    .5 .025  .72
Ti1      0 .0823    .5 .205  .72
Fe1      0 .0823    .5  .13  .72
Mn1      0 .0823    .5  .07  .72
Mg2      0 .1796     0 .415  .48
Al2      0 .1796     0 .045  .48
Fe2      0 .1796     0  .35  .48
Mn2      0 .1796     0  .19  .48
Li3      0     0     0  .67  .69
Mg3      0     0     0  .33  .69
Na4      0 .2751    .5  .95 1.17
Ca4      0 .2751    .5  .05 1.17
NaA      0    .5     0  .16  6.5
KA       0    .5     0  .03  6.5
NaAm .0508    .5 .1091  .16 2.87
KAm  .0508    .5 .1091  .03 2.87
NaA2     0 .4680     0  .16 4.68
KA2      0 .4680     0  .03 4.68
H    .1867     0 .7577 .485 2.65
O1   .1115 .0886 .2159       .63
O2   .1178 .1668 .7270       .60
O3   .1104     0 .6965  .41  .76
Oh3  .1104     0 .6965 .485  .76
F3   .1104     0 .6965 .105  .76
O4   .3605 .2508 .8018       .80
O5   .3500 .1280 .0816       .74
O6   .3456 .1198 .5823       .73
O7   .3394     0 .2979       .84
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Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A2
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001656
9.790 17.848 5.287 90 104.10 90 C2/m
atom     x     y     z occ Biso
Si1  .2785 .0862 .2934 .99  .43
Al1  .2785 .0862 .2934 .01  .43
Si2  .2889 .1712 .8023 .99  .43
Al2  .2889 .1712 .8023 .01  .43
Mg1      0 .0865    .5 .83  .54
Al1      0 .0865    .5 .04  .54
Fe1      0 .0865    .5 .10  .54
Mn1      0 .0865    .5 .03  .54
Mg2      0 .1796     0 .16  .48
Al2      0 .1796     0 .05  .48
Fe2      0 .1796     0 .61  .48
Mn2      0 .1796     0 .18  .48
Li3      0     0     0 .74  .79
Mg3      0     0     0 .26  .79
Na4      0 .2764    .5 .98 1.14
Ca4      0 .2764    .5 .02 1.14
NaA      0    .5     0 .15 3.01
KA       0    .5     0 .04 3.01
NaAm .0480    .5 .1028 .15 2.28
KAm  .0480    .5 .1028 .04 2.28
NaA2     0 .4744     0 .15 4.87
KA2      0 .4744     0 .04 4.87
H    .1826     0 .7335 .64 2.55
O1   .1102 .0905 .2146      .65
O2   .1186 .1694 .7315      .66
O3   .1115     0 .7002 .11  .96
Oh3  .1115     0 .7002 .64  .96
F3   .1115     0 .7002 .24  .96
O4   .3632 .2504 .8018      .81
O5   .3497 .1285 .0851      .77
O6   .3435 .1192 .5845      .73
O7   .3348     0 .2963      .93
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Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A3
Note: Site occupancies are set to be the same as ones in sample A2
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001657
9.822 17.836 5.286 90 104.37 90 C2/m
atom     x     y     z occ Biso
Si1  .2780 .0862 .2944 .99  .46
Al1  .2780 .0862 .2944 .01  .46
Si2  .2883 .1712 .8018 .99  .45
Al2  .2883 .1712 .8018 .01  .45
Mg1      0 .0848    .5 .83  .70
Al1      0 .0848    .5 .04  .70
Fe1      0 .0848    .5 .10  .70
Mn1      0 .0848    .5 .03  .70
Mg2      0 .1796     0 .16  .50
Al2      0 .1796     0 .05  .50
Fe2      0 .1796     0 .61  .50
Mn2      0 .1796     0 .18  .50
Li3      0     0     0 .74  .69
Mg3      0     0     0 .26  .69
Na4      0 .2763    .5 .98 1.21
Ca4      0 .2763    .5 .02 1.21
NaA      0    .5     0 .15 4.51
KA       0    .5     0 .04 4.51
NaAm .0399    .5 .0930 .15 2.81
KAm  .0399    .5 .0930 .04 2.81
NaA2     0 .4766     0 .15 4.14
KA2      0 .4766     0 .04 4.14
H    .1845     0 .7705 .64 3.11
O1   .1100 .0905 .2154      .71
O2   .1184 .1685 .7284      .76
O3   .1110     0 .6975 .11  .91
Oh3  .1110     0 .6975 .64  .91
F3   .1110     0 .6975 .24  .91
O4   .3623 .2504 .8027      .89
O5   .3486 .1281 .0850      .74
O6   .3436 .1193 .5854      .74
O7   .3338     0 .2983      .94
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Aenigmatite
Download hom/aenigmatite.pdf
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
Download am/vol56/AM56_427.pdf
American Mineralogist 56 (1971) 427-446
The crystal structure of aenigmatite
sample CM
_database_code_amcsd 0000224
10.406 10.813 8.926 104.93 96.87 125.32 P-1
atom     x     y     z Biso
Fe1      0     0    .5  .89
Fe2      0    .5     0  .85
Fe3  .3193 .8513 .1779  .91
Fe4  .7670 .8203 .1517  .68
Fe5  .0952 .9382 .0522  .98
Fe6  .5962 .9435 .0662  .82
Ti1  .9970 .7428 .2565  .62
Na1  .2092 .6289 .3893 1.33
Na2  .6627 .6127 .3733 1.42
Si1  .4798 .2333 .3311  .82
Si2  .9879 .2363 .3456  .68
Si3  .7925 .3435 .2424  .84
Si4  .2782 .3364 .2257  .86
Si5  .6478 .9448 .4450  .76
Si6  .3525 .5573 .0501  .78
O1   .3600 .0684 .1630 1.02
O2   .8640 .0688 .1800 1.41
O3   .5488 .9535 .2957 1.20
O4   .0087 .9233 .2648 1.19
O5   .2364 .8751 .3951 1.19
O6   .7523 .8821 .3912 1.10
O7   .4967 .1947 .4965 1.00
O8   .9603 .7756 .4843  .98
O9   .9069 .3300 .3717 1.44
O10  .4091 .3408 .3539  .75
O11  .6710 .1773 .0749 1.44
O12  .1565 .1694 .0646 1.02
O13  .5197 .7094 .0365 1.04
O14  .0671 .7334 .0776  .78
O15  .2453 .6098 .1152 1.51
O16  .7572 .6022 .1230 1.39
O17  .4040 .4995 .1882 1.01
O18  .9370 .5164 .2269 1.15
O19  .1708 .3661 .3271  .91
O20  .6749 .3640 .3422  .93
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Aenigmatite
Download hom/aenigmatite.pdf
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
Download am/vol56/AM56_427.pdf
American Mineralogist 56 (1971) 427-446
The crystal structure of aenigmatite
sample FRO
_database_code_amcsd 0000225
10.406 10.813 8.926 104.93 96.87 125.32 P-1
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0     0    .5 .89       .0018  .0029  .0040  .0013  .0013  .0017
Ti1      0     0    .5 .11       .0018  .0029  .0040  .0013  .0013  .0017
Fe2      0    .5     0 .87       .0017  .0024  .0044  .0011  .0017  .0018
Ti2      0    .5     0 .13       .0017  .0024  .0044  .0011  .0017  .0018
Fe3  .3214 .8528 .1779 .95       .0024  .0030  .0047  .0013  .0013  .0017
Ti3  .3214 .8528 .1779 .05       .0024  .0030  .0047  .0013  .0013  .0017
Fe4  .7655 .8199 .1511 .76       .0029  .0032  .0047  .0017  .0018  .0020
Ti4  .7655 .8199 .1511 .24       .0029  .0032  .0047  .0017  .0018  .0020
Fe5  .0961 .9392 .0530 .90       .0035  .0034  .0053  .0019  .0021  .0028
Ti5  .0961 .9392 .0530 .10       .0035  .0034  .0053  .0019  .0021  .0028
Fe6  .5959 .9432 .0661           .0030  .0034  .0044  .0017  .0019  .0022
Ti7  .9970 .7434 .2577 .59       .0022  .0024  .0038  .0012  .0018  .0018
Fe7  .9970 .7434 .2577 .41       .0022  .0024  .0038  .0012  .0018  .0018
Na1  .2089 .6298 .3893           .0022  .0025  .0036  .0022  .0017  .0014
Na2  .6607 .6117 .3741           .0015  .0033  .0060  .0007  .0012  .0024
Si1  .4768 .2345 .3313           .0010  .0011  .0021  .0003  .0008  .0007
Si2  .9864 .2363 .3466           .0008  .0007  .0031  .0004  .0011  .0011
Si3  .7921 .3435 .2416 .90       .0011  .0010  .0023  .0004  .0008  .0010
Fe3  .7921 .3435 .2416 .10       .0011  .0010  .0023  .0004  .0008  .0010
Si4  .2772 .3382 .2252 .95       .0017  .0018  .0031  .0008  .0009  .0012
Fe4  .2772 .3382 .2252 .05       .0017  .0018  .0031  .0008  .0009  .0012
Si5  .6487 .9448 .4447 .94       .0019  .0024  .0024  .0016  .0015  .0015
Fe5  .6487 .9448 .4447 .06       .0019  .0024  .0024  .0016  .0015  .0015
Si6  .3528 .5588 .0501 .95       .0023  .0014  .0032  .0013  .0019  .0015
Fe6  .3528 .5588 .0501 .05       .0023  .0014  .0032  .0013  .0019  .0015
O1   .3542 .0641 .1621      .64
O2   .8611 .0666 .1807      .43
O3   .5540 .9534 .2958      .75
O4   .0151 .9258 .2670      .83
O5   .2353 .8747 .3933      .65
O6   .7541 .8843 .3902      .63
O7   .4929 .1948 .4973      .75
O8   .9575 .7755 .4871      .58
O9   .8996 .3230 .3735      .76
O10  .4034 .3364 .3529      .93
O11  .6653 .1744 .0709      .57
O12  .1570 .1688 .0612      .57
O13  .5233 .7108 .0393      .56
O14  .0673 .7340 .0757      .37
O15  .2417 .6060 .1120      .89
O16  .7510 .6018 .1275      .64
O17  .4002 .5015 .1883      .52
O18  .9363 .5147 .2264     1.09
O19  .1648 .3649 .3183      .62
O20  .6731 .3626 .3366      .99
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Elpidite
Download hom/elpidite.pdf
Cannillo E, Rossi G, Ungaretti L
Download am/vol58/AM58_106.pdf
American Mineralogist 58 (1973) 106-109
The crystal structure of elpidite
_database_code_amcsd 0000303
7.14 14.68 14.65 90 90 90 Pbcm
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr    .4950   .25    .5       .0029  .0002  .0005      0      0 -.0001
Si1   .7720 .3854 .6462  .40
Si2   .5086 .0476 .6413  .51
Si3   .2170 .3928 .6435  .49
Na1   .4362 .2299   .75 2.07
Na2  -.0027   .25    .5 2.02
O1    .9966 .4047 .6392 1.46
O2    .7156 .3538   .75 1.33
O3    .7077 .3099 .5772 1.38
O4    .6781 .4825 .6277 1.53
O5    .5285 .0713   .75  .93
O6    .4904 .1405 .5886 1.20
O7    .3029 .4888 .6119  .51
O8    .2881 .3770   .75  .79
O9    .2928 .3097 .5823  .80
Wat1  .0104 .1130 .5810 2.61
Wat2  .1233 .1895   .75 3.04
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Ezcurrite
Download hom/ezcurrite.pdf
Cannillo E, Dal Negro A, Ungaretti L
Download am/vol58/AM58_110.pdf
American Mineralogist 58 (1973) 110-115
The crystal structure of ezcurrite
_database_code_amcsd 0000304
8.598 9.570 6.576 102.75 107.50 71.52 P-1
atom      x     y      z Biso
Na1   .8988 .3700  .0373 1.81
Na2   .5860 .1519  .5616 2.88
B1    .3333 .1608  .1463 1.05
B2    .2566 .2850 -.1777 1.12
B3    .4580 .3607  .1560 1.28
B4   -.0485 .3710 -.3761 1.14
B5    .1590 .2623 -.5812  .95
H1     .518 -.045   .167 3.00
H2     .593  .507   .186 3.00
H3    -.292  .428  -.481 3.00
H4     .781 -.021   .288 5.00
H5     .749  .087   .919 5.00
O1    .1756 .2244  .2169 1.17
O2    .4110 .0118  .2130 1.35
O3    .2982 .1510 -.0867 1.02
O4    .4508 .2564  .2527 1.34
O5    .5666 .4476  .2676 1.94
O6    .3627 .3865 -.0474 1.34
O7    .0778 .3727 -.1868 1.21
O8    .2846 .2489 -.3991 1.18
O9   -.2072 .4156 -.3508 2.00
O10  -.0113 .3259 -.5695 1.47
O11   .8265 .0547  .4041 4.07
O12   .8261 .1440  .9732 7.28
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Latiumite
Download hom/latiumite.pdf
Cannillo E, Dal Negro A, Rossi G
Download am/vol58/AM58_466.pdf
American Mineralogist 58 (1973) 466-470
The crystal structure of latiumite, a new type of sheet silicate
_database_code_amcsd 0000319
12.06 5.08 10.81 90 106.0 90 P2_1
atom     x      y     z occ Biso
Si1  .3779    .75 .0710 .80  .17
Al1  .3779    .75 .0710 .20  .17
Al2  .3816  .7581 .3497      .00
Al3  .3447  .2601 .4784 .50  .05
Si3  .3447  .2601 .4784 .50  .05
Si4  .8239  .7103 .3569 .85  .13
Al4  .8239  .7103 .3569 .15  .13
Al5  .6530  .7494 .0840      .08
Ca1  .8866  .2581 .1913      .33
Ca2  .2025  .2549 .1460      .82
Ca3  .1166  .7384 .4515      .22
K    .5747  .2574 .2748 .85 1.20
S    .0358  .7833 .1387 .71  .44
C      .01    .77   .17 .30
O1   .6900  .0804 .0583     1.21
O2   .5165  .7269 .1035      .75
O3   .3379  .0631 .0460      .79
O4   .3389  .6388 .1934      .41
O5   .3414  .0920 .3428     1.02
O6   .5299  .7277 .4097      .95
O7   .3073  .5754 .4366      .85
O8   .2426  .1173 .5358      .80
O9   .9407  .5519 .3981     1.34
O10  .8350  .0299 .3540      .68
O11  .7475  .5974 .2166      .65
O12  .9119  .8170 .0803     2.16
O13  .1059  .3298 .0461 .67  .49
O14  .0649  .5317 .2018     2.30
O15  .0703 -.0107 .2388     1.75
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Andremeyerite
Download hom/andremeyerite.pdf
Cannillo E, Mazzi F, Rossi G
Download am/vol73/AM73_608.pdf
American Mineralogist 73 (1988) 608-612
Crystal structure of andremeyerite, BaFe(Fe,Mn,Mg)Si2O7
_database_code_amcsd 0001164
7.488 13.785 7.085 90 118.23 90 P2_1/c
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba    .4893 .1434 .2940      .0061  .0011  .0067 -.0002  .0031 -.0002
Fe1  -.0024 .2439 .3058      .0033  .0010  .0056  .0001  .0014  .0000
Fe2  -.0380 .5016 .2115 .92  .0040  .0010  .0065 -.0002  .0019 -.0003
Mg2  -.0380 .5016 .2115 .08  .0040  .0010  .0065 -.0002  .0019 -.0003
SiA   .2765 .3908 .2023      .0030  .0010  .0052  .0002  .0012  .0003
SiB   .7241 .3833 .3877      .0032  .0008  .0046  .0001  .0016  .0002
O1A   .2262 .5001 .1055      .0049  .0013  .0056  .0004  .0006  .0007
O1B   .7251 .4833 .2737      .0072  .0014  .0132  .0007  .0058  .0013
O2A   .2573 .3118 .0249      .0037  .0019  .0074 -.0006  .0012 -.0022
O2B   .7270 .2903 .2481      .0049  .0013  .0143 -.0003  .0046 -.0017
O3A   .1229 .3714 .3016      .0063  .0010  .0136 -.0002  .0064  .0006
O3B   .9090 .3763 .6290      .0049  .0013  .0091 -.0005  .0010  .0002
O4    .5104 .3784 .4021      .0044  .0014  .0017 -.0003  .0007  .0000
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Ferropargasite
Download hom/ferropargasite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
Download am/vol78/AM78_746.pdf
American Mineralogist 78 (1993) 746-752
The mechanism of Cl incorporation in amphibole
Sample: Cl(0)
Locality: Nuptse Glacier moraine, Everest Massif, Nepal
_database_code_amcsd 0001599
9.895 18.119 5.332 90 105.17 90 C2/m
atom     x     y     z occ Biso
NaA      0    .5     0 .10 2.20
KA       0    .5     0 .13 2.20
NaAm .0336    .5 .0734 .05 1.74
KAm  .0336    .5 .0734 .06 1.74
NaA2     0 .4714     0 .05 4.05
KA2      0 .4714     0 .06 4.05
Ca4      0 .2808    .5 .97  .75
Na4      0 .2808    .5 .03  .75
Mg1      0 .0897    .5 .46  .58
Fe1      0 .0897    .5 .54  .58
Mg2      0 .1780     0 .27  .50
Fe2      0 .1780     0 .51  .50
Al2      0 .1780     0 .19  .50
Ti2      0 .1780     0 .03  .50
Mg3      0     0     0 .34  .53
Fe3      0     0     0 .66  .53
Si1  .2791 .0860 .3026 .52  .45
Al1  .2791 .0860 .3026 .48  .45
Si2  .2911 .1732 .8140      .46
O1   .1051 .0911 .2141      .79
O2   .1199 .1756 .7358      .70
F3   .1097     0 .7120 .13  .84
Oh3  .1097     0 .7120 .87  .84
O4   .3686 .2499 .7924      .82
O5   .3490 .1392 .1087      .87
O6   .3426 .1195 .6046      .91
O7   .3336     0 .2887     1.21
H    .1579     0 .7603 .87 1.53
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Potassic-chlorohastingsite
 
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
Download am/vol78/AM78_746.pdf
American Mineralogist 78 (1993) 746-752
The mechanism of Cl incorporation in amphibole
Sample: Cl(1)
Locality: Sesia-Lanzo marble, Western Alps, Italy
_database_code_amcsd 0001600
9.884 18.143 5.332 90 104.86 90 C2/m
atom     x     y     z occ Biso
NaA      0    .5     0 .15 4.58
KA       0    .5     0 .12 4.58
NaAm .0412    .5 .0945 .08 4.66
KAm  .0412    .5 .0945 .06 4.66
NaA2     0 .4614     0 .08 3.00
KA2      0 .4614     0 .06 3.00
Mg1      0 .0921    .5 .35  .69
Fe1      0 .0921    .5 .65  .69
Mg2      0 .1787     0 .38  .60
Fe2      0 .1787     0 .44  .60
Al2      0 .1787     0 .16  .60
Ti2      0 .1787     0 .02  .60
Mg3      0     0     0 .26  .73
Fe3      0     0     0 .74  .73
Ca4      0 .2796    .5 .87  .93
Na4      0 .2796    .5 .10  .93
Mg4      0 .2796    .5 .02  .93
Fe4      0 .2796    .5 .01  .93
Si1  .2789 .0854 .2996 .61  .52
Al1  .2789 .0854 .2996 .39  .52
Si2  .2909 .1729 .8100      .53
O1   .1062 .0903 .2139      .89
O2   .1210 .1754 .7343      .84
Cl3  .1061     0 .7076 .28 1.03
F3   .1061     0 .7076 .13 1.03
OH3  .1061     0 .7076 .58 1.03
O3'  .1596     0 .7332     1.64
O4   .3679 .2495 .7944      .90
O5   .3484 .1363 .1007      .96
O6   .3426 .1201 .5978     1.02
O7   .3359     0 .2911     1.22
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Potassic-chlorohastingsite
 
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
Download am/vol78/AM78_746.pdf
American Mineralogist 78 (1993) 746-752
The mechanism of Cl incorporation in amphibole
Sample: Cl(2)
Locality: Sesia-Lanzo marble, Western Alps, Italy
_database_code_amcsd 0001601
9.922 18.219 5.360 90 104.81 90 C2/m
atom     x     y     z occ Biso
NaA      0    .5     0 .12 2.75
KA       0    .5     0 .18 2.75
NaAm .0344    .5 .0707 .06 3.38
KAm  .0344    .5 .0707 .09 3.38
NaA2     0 .4645     0 .06 4.72
KA2      0 .4645     0 .09 4.72
Mg1      0 .0944    .5 .18  .73
Fe1      0 .0944    .5 .82  .73
Mg2      0 .1792     0 .31  .59
Fe2      0 .1792     0 .51  .59
Al2      0 .1792     0 .17  .59
Ti2      0 .1792     0 .01  .59
Mg3      0     0     0 .08  .71
Fe3      0     0     0 .92  .71
Ca4      0 .2806    .5 .93  .85
Na4      0 .2806    .5 .07  .85
Si1  .2779 .0861 .3006 .54  .49
Al1  .2779 .0861 .3006 .46  .49
Si2  .2911 .1735 .8113      .54
O1   .1039 .0915 .2131      .86
O2   .1215 .1777 .7365      .80
Cl3  .1031     0 .7021 .49  .93
F3   .1031     0 .7021 .07  .93
OH3  .1031     0 .7021 .44  .93
O3'  .1611     0 .7337     1.22
O4   .3690 .2499 .7947      .92
O5   .3474 .1363 .0985      .89
O6   .3423 .1220 .5977     1.01
O7   .3338     0 .2977     1.33
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Ferri-eckermannite
 
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A4
Note: Site occupancies are set to be the same as ones in sample A5
_database_code_amcsd 0001658
9.771 17.887 5.289 90 103.82 90 C2/m
atom     x     y     z  occ Biso
Si1  .2805 .0857 .2930  .99  .39
Al1  .2805 .0857 .2930  .01  .39
Si2  .2885 .1714 .8017  .99  .40
Al2  .2885 .1714 .8017  .01  .40
Mg1      0 .0882    .5  .93  .52
All      0 .0882    .5  .04  .52
Fe1      0 .0882    .5 .027  .52
Mn1      0 .0882    .5 .003  .52
Mg2      0 .1809     0  .36  .47
Ti2      0 .1809     0  .02  .47
Fe2      0 .1809     0  .56  .47
Mn2      0 .1809     0  .06  .47
Li3      0     0     0  .24  .54
Mg3      0     0     0  .76  .54
Na4      0 .2765    .5  .95 1.09
Ca4      0 .2765    .5  .05 1.09
NaA      0    .5     0  .11 5.08
KA       0    .5     0  .04 5.08
NaAm .0478    .5 .1035  .11 2.93
KAm  .0478    .5 .1035  .04 2.93
NaA2     0 .4678     0  .11 4.52
KA2      0 .4678     0  .04 4.52
H    .1891     0 .7547      4.13
O1   .1112 .0881 .2137       .54
O2   .1182 .1695 .7326       .57
Oh3  .1089     0 .7083  .79  .76
F3   .1089     0 .7083  .21  .76
O4   .3629 .2504 .7997       .74
O5   .3493 .1295 .0848       .75
O6   .3425 .1195 .5833       .71
O7   .3370     0 .2957       .83
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Ferri-eckermannite
 
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A5
_database_code_amcsd 0001659
9.779 17.888 5.287 90 103.85 90 C2/m
atom     x     y     z  occ Biso
Si1  .2802 .0857 .2932  .99  .40
Al1  .2802 .0857 .2932  .01  .40
Si2  .2884 .1713 .8016  .99  .42
Al2  .2884 .1713 .8016  .01  .42
Mg1      0 .0877    .5  .93  .56
Al1      0 .0877    .5  .04  .56
Fe1      0 .0877    .5 .027  .56
Mn1      0 .0877    .5 .003  .56
Mg2      0 .1807     0  .36  .47
Ti2      0 .1807     0  .02  .47
Fe2      0 .1807     0  .56  .47
Mn2      0 .1807     0  .06  .47
Li3      0     0     0  .24  .55
Mg3      0     0     0  .76  .55
Na4      0 .2764    .5  .95 1.07
Ca4      0 .2764    .5  .05 1.07
NaA      0    .5     0  .11 4.36
KA       0    .5     0  .04 4.36
NaAm .0479    .5 .1014  .11 2.81
KAm  .0479    .5 .1014  .04 2.81
NaA2     0 .4654     0  .11 3.85
KA2      0 .4654     0  .04 3.85
H    .1739     0 .7437      1.58
O1   .1111 .0882 .2142       .55
O2   .1182 .1693 .7318       .60
Oh3  .1091     0 .7075  .79  .77
F3   .1091     0 .7075  .21  .77
O4   .3627 .2503 .7996       .77
O5   .3492 .1294 .0849       .74
O6   .3426 .1193 .5836       .72
O7   .3369     0 .2956       .85
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Mangano-mangani-ungarettiite
 
Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M
Download am/vol80/AM80_165.pdf
American Mineralogist 80 (1995) 165-172
A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales,
Australia: Description and crystal structure of ungarettiite, NaNa2(Mn2Mn3)Si8O22O2
Sample U1
Locality: Hoskins mine, Grenfell, New South Wales, Australia
_database_code_amcsd 0001714
9.889 18.033 5.296 90 105.08 90 C2/m
atom     x     y     z  occ Biso
O1   .1201 .0832 .2075       .69
O2   .1170 .1594 .7087       .64
O3   .0913     0 .7186       .64
O4   .3488 .2484 .7904       .96
O5   .3504 .1263 .0716       .86
O6   .3486 .1185 .5752       .84
O7   .3502     0 .2934       .93
Si1  .2885 .0840 .2863       .51
Si2  .2870 .1680 .7861       .50
Mn1      0 .0814    .5       .47
Mn2      0 .1834     0  .89  .61
Mg2      0 .1834     0  .11  .61
Mn3      0     0     0  .94  .42
Mg3      0     0     0  .06  .42
Na4      0 .2730    .5 .985 1.58
Ca4      0 .2730    .5 .015 1.58
NaAm .0362    .5 .0782 .207 2.77
KAm  .0362    .5 .0782 .038 2.77
NaA2     0 .4873     0 .207 2.68
KA2      0 .4873     0 .038 2.68
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Mangano-mangani-ungarettiite
 
Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M
Download am/vol80/AM80_165.pdf
American Mineralogist 80 (1995) 165-172
A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales,
Australia: Description and crystal structure of ungarettiite, NaNa2(Mn2Mn3)Si8O22O2
Sample U2
Locality: Hoskins mine, Grenfell, New South Wales, Australia
_database_code_amcsd 0001715
9.893 18.041 5.295 90 105.10 90 C2/m
atom     x     y     z  occ Biso
O1   .1200 .0832 .2085       .63
O2   .1171 .1592 .7079       .63
O3   .0914     0 .7186       .72
O4   .3490 .2485 .7906       .94
O5   .3504 .1262 .0712       .85
O6   .3488 .1186 .5755       .83
O7   .3502     0 .2941       .93
Si1  .2885 .0841 .2862       .47
Si2  .2870 .1680 .7863       .50
Mn1      0 .0815    .5       .47
Mn2      0 .1834     0  .89  .58
Mg2      0 .1834     0  .11  .58
Mn3      0     0     0  .93  .40
Mg3      0     0     0  .07  .40
Na4      0 .2729    .5 .985 1.47
Ca4      0 .2729    .5 .015 1.47
Na2  .0364    .5 .0794   .2 2.98
KAm  .0364    .5 .0794 .038 2.98
NaA2     0 .4896     0   .2 3.04
KA2      0 .4896     0 .038 3.04
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F1
_database_code_amcsd 0005447
9.873 18.011 5.299 90 105.17 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2806 .0853 .3022 .779  .38
AlT1   .2806 .0853 .3022 .221  .38
SiT2   .2909 .1728 .8124 .779  .44
AlT2   .2909 .1728 .8124 .221  .44
MgM1       0 .0892    .5  .78  .50
FeM1       0 .0892    .5  .22  .50
TiM2       0 .1768     0  .06  .47
CrM2       0 .1768     0  .04  .47
AlM2       0 .1768     0  .22  .47
FeM2       0 .1768     0  .14  .47
MgM2       0 .1768     0  .54  .47
AlM3       0     0     0  .11  .49
MgM3       0     0     0  .65  .49
FeM3       0     0     0  .24  .49
FeM4       0 .2799    .5  .03  .67
MgM4       0 .2799    .5  .01  .67
CaM4       0 .2799    .5  .46  .67
FeM4'      0 .2566    .5  .03  .50
MgM4'      0 .2566    .5  .01  .50
CaM4'      0 .2566    .5  .46  .50
NaA        0    .5     0 .148 5.28
KA         0    .5     0 .007 5.28
NaA(m) .0359    .5 .0904 .149 3.97
KA(m)  .0359    .5 .0904 .008 3.97
NaA(2)     0 .4682     0 .149 1.40
KA(2)      0 .4682     0 .008 1.40
H      .1908     0 .7618      1.18
O1     .1070 .0881 .2154       .78
O2     .1196 .1738 .7327       .63
Oh3    .1085     0 .7159       .80
O4     .3680 .2498 .7882       .86
O5     .3499 .1404 .1122       .86
O6     .3435 .1162 .6094       .97
O7     .3395     0 .2744      1.08
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F3
_database_code_amcsd 0005448
9.867 17.998 5.285 90 105.19 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2805 .0854 .3024 .771  .42
AlT1   .2805 .0854 .3024 .229  .42
SiT2   .2911 .1731 .8134 .771  .46
AlT2   .2911 .1731 .8134 .229  .46
MgM1       0 .0894    .5  .84  .49
FeM1       0 .0894    .5  .16  .49
TiM2       0 .1764     0  .02  .47
AlM2       0 .1764     0  .27  .47
FeM2       0 .1764     0  .19  .47
MgM2       0 .1764     0  .52  .47
AlM3       0     0     0  .14  .47
MgM3       0     0     0  .67  .47
FeM3       0     0     0  .19  .47
FeM4       0 .2801    .5  .03  .69
MgM4       0 .2801    .5  .01  .69
CaM4       0 .2801    .5  .46  .69
FeM4'      0 .2585    .5  .04  .66
MgM4'      0 .2585    .5  .01  .66
CaM4'      0 .2585    .5  .45  .66
NaA        0    .5     0 .154 4.92
KA         0    .5     0 .001 4.92
NaA(m) .0336    .5 .0843 .155 5.33
KA(m)  .0336    .5 .0843 .001 5.33
NaA(2)     0 .4675     0 .155 1.79
KA(2)      0 .4675     0 .001 1.79
H      .1850     0 .7650      2.00
O1     .1065 .0883 .2152       .79
O2     .1199 .1741 .7341       .67
Oh3    .1086     0 .7163       .84
O4     .3682 .2501 .7882       .88
O5     .3503 .1408 .1130       .86
O6     .3436 .1162 .6109       .99
O7     .3400     0 .2731      1.07
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F4
_database_code_amcsd 0005449
9.860 17.984 5.290 90 105.26 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0852 .3022 .821  .42
AlT1   .2807 .0852 .3022 .179  .42
SiT2   .2905 .1729 .8122 .821  .46
AlT2   .2905 .1729 .8122 .179  .46
MgM1       0 .0889    .5  .91  .50
FeM1       0 .0889    .5  .09  .50
TiM2       0 .1762     0  .02  .47
CrM2       0 .1762     0  .02  .47
AlM2       0 .1762     0  .23  .47
FeM2       0 .1762     0  .12  .47
MgM2       0 .1762     0  .61  .47
AlM3       0     0     0  .25  .46
MgM3       0     0     0  .66  .46
FeM3       0     0     0  .09  .46
FeM4       0 .2798    .5  .02  .67
CaM4       0 .2798    .5  .47  .67
NaM4       0 .2798    .5  .01  .67
FeM4'      0 .2571    .5  .02  .69
CaM4'      0 .2571    .5  .47  .69
NaM4'      0 .2571    .5  .01  .69
NaA        0    .5     0 .110 4.91
KA         0    .5     0 .068 4.91
NaA(m) .0291    .5 .0727 .109 4.80
KA(m)  .0291    .5 .0727 .067 4.80
NaA(2)     0 .4675     0 .109 1.66
KA(2)      0 .4675     0 .067 1.66
H      .1974     0 .7676      4.31
O1     .1073 .0875 .2162       .77
O2     .1195 .1732 .7321       .64
Oh3    .1084     0 .7173       .77
O4     .3671 .2500 .7884       .85
O5     .3496 .1403 .1121       .86
O6     .3437 .1163 .6090       .96
O7     .3394     0 .2753      1.11
Download AMC data (View Text File)
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F5
_database_code_amcsd 0005450
9.828 17.917 5.290 90 105.16 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0855 .3023 .775  .35
AlT1   .2807 .0855 .3023 .225  .35
SiT2   .2915 .1733 .8136 .775  .43
AlT2   .2915 .1733 .8136 .225  .43
MgM1       0 .0895    .5  .87  .47
FeM1       0 .0895    .5  .13  .47
AlM2       0 .1765     0  .36  .45
FeM2       0 .1765     0  .11  .45
MgM2       0 .1765     0  .53  .45
AlM3       0     0     0  .14  .46
MgM3       0     0     0  .71  .46
FeM3       0     0     0  .15  .46
FeM4       0 .2794    .5  .05  .74
MgM4       0 .2794    .5  .01  .74
CaM4       0 .2794    .5  .44  .74
FeM4'      0 .2527    .5  .05  .49
MgM4'      0 .2527    .5  .01  .49
CaM4'      0 .2527    .5  .44  .49
NaA        0    .5     0 .152 5.12
KA         0    .5     0 .004 5.12
NaA(m) .0200    .5 .0611 .152 3.12
KA(m)  .0200    .5 .0611 .005 3.12
NaA(2)     0 .4690     0 .152 1.61
KA(2)      0 .4690     0 .005 1.61
H      .1902     0 .7667      1.46
O1     .1060 .0886 .2140       .82
O2     .1198 .1741 .7356       .64
Oh3    .1085     0 .7164       .76
O4     .3688 .2504 .7878       .91
O5     .3506 .1412 .1134       .83
O6     .3432 .1161 .6109      1.00
O7     .3393     0 .2720      1.08
Download AMC data (View Text File)
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F7
_database_code_amcsd 0005451
9.866 17.994 5.291 90 105.24 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0852 .3023 .796  .42
AlT1   .2807 .0852 .3023 .204  .42
SiT2   .2907 .1729 .8123 .796  .46
AlT2   .2907 .1729 .8123 .204  .46
MgM1       0 .0889    .5  .92  .51
FeM1       0 .0889    .5  .08  .51
TiM2       0 .1761     0  .02  .48
CrM2       0 .1761     0  .03  .48
AlM2       0 .1761     0  .20  .48
FeM2       0 .1761     0  .10  .48
MgM2       0 .1761     0  .65  .48
AlM3       0     0     0  .21  .46
MgM3       0     0     0  .72  .46
FeM3       0     0     0  .07  .46
FeM4       0 .2796    .5  .03  .71
MgM4       0 .2796    .5  .01  .71
CaM4       0 .2796    .5  .46  .71
FeM4'      0 .2545    .5  .03  .57
MgM4'      0 .2545    .5  .01  .57
CaM4'      0 .2545    .5  .46  .57
NaA        0    .5     0 .136 3.13
KA         0    .5     0 .007 3.13
NaA(m) .0220    .5 .0766 .136 2.55
KA(m)  .0220    .5 .0766 .008 2.55
NaA(2)     0 .4694     0 .136 2.11
KA(2)      0 .4694     0 .007 2.11
H      .1973     0 .7625      2.22
O1     .1071 .0874 .2159       .79
O2     .1194 .1732 .7324       .66
Oh3    .1081     0 .7181       .80
O4     .3673 .2499 .7876       .85
O5     .3496 .1405 .1126       .89
O6     .3435 .1160 .6098       .98
O7     .3400     0 .2739      1.13
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F8
_database_code_amcsd 0005452
9.861 17.959 5.289 90 105.32 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0852 .3023 .789  .52
AlT1   .2807 .0852 .3023 .211  .52
SiT2   .2908 .1730 .8127 .789  .55
AlT2   .2908 .1730 .8127 .211  .55
MgM1       0 .0890    .5  .92  .63
FeM1       0 .0890    .5  .06  .63
TiM2       0 .1762     0  .02  .57
CrM2       0 .1762     0  .02  .57
AlM2       0 .1762     0  .21  .57
FeM2       0 .1762     0  .11  .57
MgM2       0 .1762     0  .64  .57
AlM3       0     0     0  .21  .55
MgM3       0     0     0  .72  .55
FeM3       0     0     0  .07  .55
FeM4       0 .2799    .5  .03  .78
MgM4       0 .2799    .5  .01  .78
CaM4       0 .2799    .5  .46  .78
FeM4'      0 .2534    .5  .03  .73
MgM4'      0 .2534    .5  .01  .73
CaM4'      0 .2534    .5  .46  .73
NaA        0    .5     0 .140 3.64
KA         0    .5     0 .008 3.64
NaA(m) .0139    .5 .0586 .140 3.22
KA(m)  .0139    .5 .0586 .008 3.22
NaA(2)     0 .4664     0 .140 1.74
KA(2)      0 .4664     0 .008 1.74
H      .2030     0 .7277      6.24
O1     .1068 .0873 .2156       .89
O2     .1196 .1734 .7324       .74
Oh3    .1082     0 .7182       .86
O4     .3670 .2500 .7870       .95
O5     .3495 .1407 .1136       .96
O6     .3437 .1160 .6112      1.09
O7     .3398     0 .2730      1.22
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F9
_database_code_amcsd 0005453
9.874 17.995 5.298 90 105.40 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2806 .0853 .3026 .777  .43
AlT1   .2806 .0853 .3026 .223  .43
SiT2   .2907 .1730 .8130 .777  .46
AlT2   .2907 .1730 .8130 .223  .46
MgM1       0 .0892    .5  .86  .52
FeM1       0 .0892    .5  .14  .52
TiM2       0 .1763     0  .03  .48
CrM2       0 .1763     0  .03  .48
AlM2       0 .1763     0  .24  .48
FeM2       0 .1763     0  .15  .48
MgM2       0 .1763     0  .55  .48
AlM3       0     0     0  .17  .48
MgM3       0     0     0  .67  .48
FeM3       0     0     0  .16  .48
FeM4       0 .2800    .5  .03  .70
MgM4       0 .2800    .5  .01  .70
CaM4       0 .2800    .5  .46  .70
FeM4'      0 .2554    .5  .03  .67
MgM4'      0 .2554    .5  .01  .67
CaM4'      0 .2554    .5  .46  .67
NaA        0    .5     0 .155 5.26
KA         0    .5     0 .006 5.26
NaA(m) .0292    .5 .0748 .155 3.65
KA(m)  .0292    .5 .0748 .006 3.65
NaA(2)     0 .4673     0 .155 1.33
KA(2)      0 .4673     0 .006 1.33
H      .1897     0 .7583       .58
O1     .1068 .0879 .2156       .81
O2     .1198 .1737 .7331       .65
Oh3    .1085     0 .7173       .79
O4     .3674 .2500 .7880       .83
O5     .3500 .1407 .1135       .86
O6     .3437 .1162 .6112       .98
O7     .3398     0 .2731      1.11
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F10
_database_code_amcsd 0005454
9.871 17.962 5.279 90 105.22 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0852 .3028 .772  .40
AlT1   .2807 .0852 .3028 .228  .40
SiT2   .2908 .1731 .8130 .772  .44
AlT2   .2908 .1731 .8130 .228  .44
MgM1       0 .0893    .5  .91  .48
FeM1       0 .0893    .5  .09  .48
TiM2       0 .1762     0  .02  .46
CrM2       0 .1762     0  .01  .46
AlM2       0 .1762     0  .24  .46
FeM2       0 .1762     0  .09  .46
MgM2       0 .1762     0  .64  .46
AlM3       0     0     0  .27  .45
MgM3       0     0     0  .64  .45
FeM3       0     0     0  .09  .45
FeM4       0 .2800    .5  .04  .61
MgM4       0 .2800    .5  .01  .61
CaM4       0 .2800    .5  .45  .61
FeM4'      0 .2587    .5  .03  .94
MgM4'      0 .2587    .5  .01  .94
CaM4'      0 .2587    .5  .46  .94
NaA        0    .5     0 .178 5.14
KA         0    .5     0 .002 5.14
NaA(m) .0257    .5 .0768 .179 3.23
KA(m)  .0257    .5 .0768 .002 3.23
NaA(2)     0 .4694     0 .178 1.91
KA(2)      0 .4694     0 .002 1.91
H      .1853     0 .7606       .79
O1     .1067 .0871 .2156       .83
O2     .1198 .1735 .7328       .64
Oh3    .1077     0 .7188       .79
O4     .3673 .2501 .7868       .86
O5     .3504 .1414 .1141       .85
O6     .3436 .1151 .6136       .99
O7     .3411     0 .2696      1.00
Download AMC data (View Text File)
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Pargasite
Download hom/pargasite.pdf
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F11
_database_code_amcsd 0005455
9.857 17.932 5.285 90 105.36 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0854 .3031 .761  .46
AlT1   .2807 .0854 .3031 .239  .46
SiT2   .2910 .1734 .8139 .761  .50
AlT2   .2910 .1734 .8139 .239  .50
MgM1       0 .0894    .5  .93  .53
FeM1       0 .0894    .5  .07  .53
CrM2       0 .1762     0  .02  .54
AlM2       0 .1762     0  .31  .54
FeM2       0 .1762     0  .05  .54
MgM2       0 .1762     0  .62  .54
AlM3       0     0     0  .28  .50
MgM3       0     0     0  .64  .50
FeM3       0     0     0  .08  .50
FeM4       0 .2796    .5  .08  .77
MgM4       0 .2796    .5  .02  .77
CaM4       0 .2796    .5  .90  .77
FeM4'      0 .2543    .5  .08  .87
MgM4'      0 .2543    .5  .02  .87
CaM4'      0 .2543    .5  .92  .87
NaA        0    .5     0 .187 2.36
KA         0    .5     0 .003 2.36
NaA(m) .0254    .5 .0801 .187 5.31
KA(m)  .0254    .5 .0801 .003 5.31
NaA(2)     0 .4683     0 .186 1.26
KA(2)      0 .4683     0 .002 1.26
H      .1855     0 .7555      2.69
O1     .1059 .0875 .2144       .92
O2     .1197 .1736 .7347       .69
Oh3    .1074     0 .7183       .85
O4     .3679 .2505 .7871       .92
O5     .3507 .1416 .1146       .88
O6     .3433 .1152 .6146      1.05
O7     .3410     0 .2694      1.09
Download AMC data (View Text File)
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Pargasite
Download hom/pargasite.pdf
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F12
_database_code_amcsd 0005456
9.854 17.935 5.285 90 105.31 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2807 .0854 .3030 .762  .43
AlT1   .2807 .0854 .3030 .238  .43
SiT2   .2910 .1734 .8139 .762  .45
AlT2   .2910 .1734 .8139 .238  .45
MgM1       0 .0894    .5  .92  .50
FeM1       0 .0894    .5  .08  .50
CrM2       0 .1762     0  .02  .47
AlM2       0 .1762     0  .32  .47
FeM2       0 .1762     0  .04  .47
MgM2       0 .1762     0  .62  .47
AlM3       0     0     0  .27  .48
MgM3       0     0     0  .65  .48
FeM3       0     0     0  .08  .48
FeM4       0 .2800    .5  .03  .62
MgM4       0 .2800    .5  .02  .62
CaM4       0 .2800    .5  .45  .62
FeM4'      0 .2586    .5  .03  .80
MgM4'      0 .2586    .5  .02  .80
CaM4'      0 .2586    .5  .45  .80
NaA        0    .5     0 .183 5.72
KA         0    .5     0 .002 5.72
NaA(m) .0169    .5 .0583 .183 3.78
KA(m)  .0169    .5 .0583 .002 3.78
NaA(2)     0 .4696     0 .183 1.82
KA(2)      0 .4696     0 .002 1.82
H      .1926     0 .7648      2.27
O1     .1060 .0875 .2146       .90
O2     .1196 .1736 .7346       .66
Oh3    .1076     0 .7189       .83
O4     .3677 .2505 .7875       .88
O5     .3507 .1417 .1151       .86
O6     .3434 .1153 .6143      1.02
O7     .3410     0 .2694      1.04
Download AMC data (View Text File)
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Hornblende
 
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F13
_database_code_amcsd 0005457
9.886 18.009 5.291 90 105.24 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2798 .0851 .3020 .826  .38
AlT1   .2798 .0851 .3020 .174  .38
SiT2   .2898 .1726 .8110 .826  .41
AlT2   .2898 .1726 .8110 .174  .41
MgM1       0 .0888    .5  .92  .45
FeM1       0 .0888    .5  .08  .45
TiM2       0 .1762     0  .03  .44
CrM2       0 .1762     0  .11  .44
AlM2       0 .1762     0  .10  .44
FeM2       0 .1762     0  .02  .44
MgM2       0 .1762     0  .74  .44
AlM3       0     0     0  .11  .44
MgM3       0     0     0  .82  .44
FeM3       0     0     0  .07  .44
FeM4       0 .2795    .5  .02  .67
CaM4       0 .2795    .5  .48  .67
FeM4'      0 .2559    .5  .02  .59
CaM4'      0 .2559    .5  .48  .59
NaA        0    .5     0 .107 1.05
KA         0    .5     0 .034 1.05
NaA(m) .0286    .5 .0657 .106 3.39
KA(m)  .0286    .5 .0657 .034 3.39
NaA(2)     0 .4682     0 .107 2.38
KA(2)      0 .4682     0 .034 2.38
H      .1976     0 .7615      2.65
O1     .1078 .0872 .2173       .65
O2     .1194 .1728 .7303       .58
Oh3    .1084     0 .7164       .68
O4     .3665 .2494 .7891       .79
O5     .3484 .1389 .1102       .84
O6     .3436 .1165 .6062       .88
O7     .3385     0 .2805      1.09
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pargasite
Download hom/pargasite.pdf
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F14
_database_code_amcsd 0005458
9.855 17.927 5.283 90 105.44 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2808 .0854 .3033 .759  .46
AlT1   .2808 .0854 .3033 .241  .46
SiT2   .2910 .1734 .8141 .759  .49
AlT2   .2910 .1734 .8141 .241  .49
MgM1       0 .0894    .5  .92  .51
FeM1       0 .0894    .5  .08  .51
CrM2       0 .1761     0  .01  .50
AlM2       0 .1761     0  .32  .50
FeM2       0 .1761     0  .06  .50
MgM2       0 .1761     0  .61  .50
AlM3       0     0     0  .27  .48
MgM3       0     0     0  .66  .48
FeM3       0     0     0  .07  .48
FeM4       0 .2796    .5  .03  .73
MgM4       0 .2796    .5  .02  .73
CaM4       0 .2796    .5  .45  .73
FeM4'      0 .2544    .5  .03  .89
MgM4'      0 .2544    .5  .02  .89
CaM4'      0 .2544    .5  .45  .89
NaA        0    .5     0 .187 1.86
KA         0    .5     0 .001 1.86
NaA(m) .0264    .5 .0833 .187 2.93
KA(m)  .0264    .5 .0833 .002 2.93
NaA(2)     0 .4678     0 .187 1.25
KA(2)      0 .4678     0 .001 1.25
H      .1835     0 .7725      2.05
O1     .1059 .0874 .2145       .91
O2     .1197 .1736 .7345       .68
Oh3    .1073     0 .7188       .86
O4     .3680 .2505 .7868       .94
O5     .3507 .1419 .1153       .86
O6     .3431 .1151 .6149      1.04
O7     .3412     0 .2692      1.05
Download AMC data (View Text File)
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Pargasite
Download hom/pargasite.pdf
Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
Download cm/vol33/CM33_867.pdf
The Canadian Mineralogist 33 (1995) 867-878
[6]Al disorder in amphiboles from mantle peridotites
Sample: F15
_database_code_amcsd 0005459
9.854 17.931 5.282 90 105.33 90 C2/m
atom       x     y     z  occ Biso
SiT1   .2808 .0854 .3031 .762  .43
AlT1   .2808 .0854 .3031 .238  .43
SiT2   .2911 .1734 .8139 .762  .46
AlT2   .2911 .1734 .8139 .238  .46
MgM1       0 .0894    .5  .92  .50
FeM1       0 .0894    .5  .08  .50
CrM2       0 .1762     0  .02  .47
AlM2       0 .1762     0  .30  .47
FeM2       0 .1762     0  .04  .47
MgM2       0 .1762     0  .64  .47
AlM3       0     0     0  .32  .46
MgM3       0     0     0  .61  .46
FeM3       0     0     0  .07  .46
FeM4       0 .2801    .5  .03  .61
MgM4       0 .2801    .5  .02  .61
CaM4       0 .2801    .5  .44  .61
NaM4       0 .2801    .5  .01  .61
FeM4'      0 .2592    .5  .03  .71
MgM4'      0 .2592    .5  .02  .71
CaM4'      0 .2592    .5  .44  .71
NaM4'      0 .2592    .5  .01  .71
NaA        0    .5     0 .182 6.39
KA         0    .5     0 .002 6.39
NaA(m) .0232    .5 .0501 .181 5.80
KA(m)  .0232    .5 .0501 .002 5.80
NaA(2)     0 .4691     0 .182 1.32
KA(2)      0 .4691     0 .002 1.32
H      .1893     0 .7677      1.67
O1     .1062 .0873 .2148       .89
O2     .1197 .1736 .7344       .67
Oh3    .1074     0 .7195       .82
O4     .3677 .2505 .7870       .88
O5     .3507 .1419 .1153       .86
O6     .3434 .1150 .6148      1.02
O7     .3412     0 .2686      1.04
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(1) Fluor-richterite
_database_code_amcsd 0006438
9.884 18.005 5.274 90 104.65 90 C2/m
atom     x     y     z   occ Biso
O1   .1111 .0853 .2187        .51
O2   .1190 .1698 .7262        .55
O3   .1053     0 .7140 .4185  .65
F    .1053     0 .7140 .5815  .65
O4   .3630 .2487 .7935        .73
O5   .3469 .1326 .0970        .80
O6   .3436 .1173 .5933        .73
O7   .3393     0 .2929        .86
NaA      0    .5     0  .304 4.39
KA       0    .5     0  .133 4.39
NaAm .0368    .5 .0811  .152 3.02
KAm  .0368    .5 .0811 .0665 3.02
TiM1     0 .0886    .5 .0047  .48
FeM1     0 .0886    .5 .0533  .48
MgM1     0 .0886    .5 .9393  .48
MnM1     0 .0886    .5 .0026  .48
TiM2     0 .1781     0 .0047  .47
FeM2     0 .1781     0 .0533  .47
MgM2     0 .1781     0 .9393  .47
MnM2     0 .1781     0 .0026  .47
TiM3     0     0     0 .0047  .45
FeM3     0     0     0 .0533  .45
MgM3     0     0     0 .9393  .45
MnM3     0     0     0 .0026  .45
CaM4     0 .2774    .5 .6965  .89
NaM4     0 .2774    .5   .28  .89
SiT1 .2793 .0845 .2978 .9536  .38
AlT1 .2793 .0845 .2978 .0448  .38
TiT1 .2793 .0845 .2978 .0016  .38
SiT2 .2875 .1714 .8046 .9536  .38
AlT2 .2875 .1714 .8046 .0448  .38
TiT2 .2875 .1714 .8046 .0016  .38
H    .1983     0 .7911 .4185  .40
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(2) Potassium-richterite
_database_code_amcsd 0006439
9.998 17.976 5.273 90 104.75 90 C2/m
atom     x     y     z   occ Biso
O1   .1097 .0866 .2178        .46
O2   .1182 .1702 .7261        .53
O3   .1054     0 .7143   .69  .59
F    .1054     0 .7143   .31  .59
O4   .3620 .2481 .7980        .71
O5   .3436 .1302 .0948        .66
O6   .3399 .1172 .5929        .64
O7   .3319     0 .3008        .63
NaA      0    .5     0 .1035 1.29
KA       0    .5     0  .436 1.29
NaAm .0328    .5 .0764 .0517  .83
KAm  .0328    .5 .0764  .218  .83
AlM1     0 .0892    .5 .0098  .47
TiM1     0 .0892    .5 .0012  .47
MgM1     0 .0892    .5 .9745  .47
MnM1     0 .0892    .5 .0145  .47
AlM2     0 .1795     0 .0098  .51
TiM2     0 .1795     0 .0012  .51
MgM2     0 .1795     0 .9745  .51
MnM2     0 .1795     0 .0145  .51
AlM3     0     0     0 .0098  .39
TiM3     0     0     0 .0012  .39
MgM3     0     0     0 .9745  .39
MnM3     0     0     0 .0145  .39
SrM4     0 .2776    .5 .0255  .86
CaM4     0 .2776    .5  .521  .86
NaM4     0 .2776    .5 .4535  .86
SiT1 .2749 .0853 .2987 .9939  .33
AlT1 .2749 .0853 .2987 .0061  .33
SiT2 .2847 .1720 .8042 .9939  .34
AlT2 .2847 .1720 .8042 .0061  .34
H    .1904     0 .7509   .69 2.05
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(3) Potassium-fluor-richterite
_database_code_amcsd 0006440
9.970 17.985 5.273 90 104.81 90 C2/m
atom     x     y     z   occ Biso
O1   .1106 .0853 .2191        .47
O2   .1177 .1693 .7263        .56
OH3  .1029     0 .7146 .3685  .65
F    .1029     0 .7146 .6315  .65
O4   .3619 .2485 .7967        .84
O5   .3447 .1306 .0974        .79
O6   .3412 .1171 .5940        .76
O7   .3348     0 .3003        .74
NaA      0    .5     0   .21 2.47
KA       0    .5     0  .362 2.47
NaAm .0326    .5 .0747 .0525 1.63
KAm  .0326    .5 .0747 .0905 1.63
NaA2     0 .4706     0 .0525 4.80
KA2      0 .4706     0 .0905 4.80
FeM1     0 .0892    .5 .0025  .44
MgM1     0 .0892    .5 .9966  .44
MnM1     0 .0892    .5 .0008  .44
FeM2     0 .1789     0 .0025  .55
MgM2     0 .1789     0 .9966  .55
MnM2     0 .1789     0 .0008  .55
FeM3     0     0     0 .0025  .46
MgM3     0     0     0 .9966  .46
MnM3     0     0     0 .0008  .46
CaM4     0 .2780    .5  .549  .87
NaM4     0 .2780    .5  .376  .87
SiT1 .2767 .0848 .3005 .9859  .36
AlT1 .2767 .0848 .3005 .0023  .36
TiT1 .2767 .0848 .3005 .0003  .36
SiT2 .2854 .1716 .8056 .9859  .41
AlT2 .2854 .1716 .8056 .0023  .41
TiT2 .2854 .1716 .8056 .0003  .41
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(5) Potassium-fluor-richterite
_database_code_amcsd 0006441
9.948 18.025 5.281 90 104.72 90 C2/m
atom      x     y     z   occ Biso
O1    .1112 .0862 .2203        .57
O2    .1175 .1686 .7240        .67
OH3   .1041     0 .7119  .668  .92
F     .1041     0 .7119  .332  .92
O4    .3606 .2486 .7986       1.00
O5    .3453 .1295 .0940        .87
O6    .3430 .1185 .5907        .85
O7    .3353     0 .3050        .84
NaA       0    .5     0   .09 2.30
KA        0    .5     0  .386 2.30
NaAm  .0369    .5 .0790 .0225 1.71
KAm   .0369    .5 .0790 .0965 1.71
NaA2      0 .4670     0 .0225 2.51
KA2       0 .4670     0 .0965 2.51
TiM1      0 .0836    .5 .1036  .84
FeM1      0 .0836    .5 .1166  .84
MgM1      0 .0836    .5 .7778  .84
MnM1      0 .0836    .5  .002  .84
TiM2      0 .1796     0 .1036  .61
FeM2      0 .1796     0 .1166  .61
MgM2      0 .1796     0 .7778  .61
MnM2      0 .1796     0  .002  .61
TiM3      0     0     0 .1036  .57
FeM3      0     0     0 .1166  .57
MgM3      0     0     0 .7778  .57
MnM3      0     0     0  .002  .57
CaM4      0 .2766    .5 .2415  .98
NaM4      0 .2766    .5 .2483  .98
CaM42     0 .2559    .5 .2415  .55
NaM42     0 .2559    .5 .2483  .55
SiT1  .2780 .0849 .3002 .9663  .48
AlT1  .2780 .0849 .3002   .01  .48
TiT1  .2780 .0849 .3002 .0238  .48
SiT2  .2855 .1714 .8046 .9663  .49
AlT2  .2855 .1714 .8046   .01  .49
TiT2  .2855 .1714 .8046 .0238  .49
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Richterite
Download hom/richterite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(6) Potassium-fluor-richterite
_database_code_amcsd 0006442
9.950 18.035 5.284 90 104.76 90 C2/m
atom      x     y     z   occ Biso
O1    .1111 .0864 .2204        .56
O2    .1175 .1686 .7240        .63
OH3   .1045     0 .7127 .6405  .93
F     .1045     0 .7127 .3595  .93
O4    .3606 .2487 .7984        .99
O5    .3451 .1296 .0941        .89
O6    .3431 .1185 .5909        .85
O7    .3356     0 .3058        .84
NaA       0    .5     0 .1115 2.19
KA        0    .5     0 .3885 2.19
NaAm  .0357    .5 .0762 .0278 2.17
KA        0    .5     0 .1942 2.19
NaA2      0 .4739     0 .0278 2.17
KA2       0 .4739     0 .0972 2.17
TiM1      0 .0830    .5 .0954  .82
FeM1      0 .0830    .5 .1086  .82
MgM1      0 .0830    .5 .7927  .82
MnM1      0 .0830    .5 .0032  .82
TiM2      0 .1795     0 .0954  .58
FeM2      0 .1795     0 .1086  .58
MgM2      0 .1795     0 .7927  .58
MnM2      0 .1795     0 .0032  .58
TiM3      0     0     0 .0954  .51
FeM3      0     0     0 .1086  .51
MgM3      0     0     0 .7927  .51
MnM3      0     0     0 .0032  .51
CaM4      0 .2766    .5 .2425  .91
NaM4      0 .2766    .5 .2442  .91
CaM42     0 .2512    .5 .2425  .57
NaM42     0 .2512    .5 .2442  .57
SiT1  .2782 .0849 .3007  .965  .47
AlT1  .2782 .0849 .3007 .0106  .47
TiT1  .2782 .0849 .3007 .0244  .47
SiT2  .2855 .1714 .8049  .965  .48
AlT2  .2855 .1714 .8049 .0106  .48
TiT2  .2855 .1714 .8049 .0244  .48
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Richterite
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Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(7) Potassium-fluor-richterite
_database_code_amcsd 0006443
10.020 18.026 5.282 90 104.96 90 C2/m
atom     x     y     z   occ Biso
O1   .1103 .0854 .2199        .51
O2   .1172 .1693 .7258        .63
OH3  .1023     0 .7148 .3085  .77
F    .1023     0 .7148 .6915  .77
O4   .3609 .2484 .7989        .99
O5   .3439 .1299 .0992        .90
O6   .3407 .1176 .5950        .89
O7   .3335     0 .3063        .76
KA       0    .5     0 .3286 1.64
KAm  .0284    .5 .0644 .3286 1.48
TiM1     0 .0886    .5   .01  .60
FeM1     0 .0886    .5 .0583  .60
MgM1     0 .0886    .5   .93  .60
MnM1     0 .0886    .5 .0012  .60
TiM2     0 .1792     0   .01  .60
FeM2     0 .1792     0 .0583  .60
MgM2     0 .1792     0   .93  .60
MnM2     0 .1792     0 .0012  .60
TiM3     0     0     0   .01  .49
FeM3     0     0     0 .0583  .49
MgM3     0     0     0   .93  .49
MnM3     0     0     0 .0012  .49
CaM4     0 .2778    .5  .507  .97
NaM4     0 .2778    .5 .4815  .97
SiT1 .2758 .0848 .3028 .9596  .45
AlT1 .2758 .0848 .3028 .0066  .45
TiT1 .2758 .0848 .3028 .0337  .45
SiT2 .2845 .1718 .8080 .9596  .47
AlT2 .2845 .1718 .8080 .0066  .47
TiT2 .2845 .1718 .8080 .0337  .47
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Richterite
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Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(8) Potassium-fluor-richterite
_database_code_amcsd 0006444
10.022 18.029 5.284 90 105.01 90 C2/m
atom     x     y     z   occ Biso
O1   .1102 .0854 .2200        .50
O2   .1172 .1694 .7258        .64
OH3  .1022     0 .7148  .278  .72
F    .1022     0 .7148  .722  .72
O4   .3610 .2484 .7993       1.00
O5   .3439 .1300 .0997        .89
O6   .3407 .1175 .5951        .88
O7   .3335     0 .3068        .76
KA       0    .5     0   1/3 1.98
KAm  .0300    .5 .0663   1/3 1.57
TiM1     0 .0886    .5 .0082  .61
FeM1     0 .0886    .5  .059  .61
MgM1     0 .0886    .5 .9313  .61
MnM1     0 .0886    .5 .0014  .61
TiM2     0 .1792     0 .0082  .60
FeM2     0 .1792     0  .059  .60
MgM2     0 .1792     0 .9313  .60
MnM2     0 .1792     0 .0014  .60
TiM3     0     0     0 .0082  .49
FeM3     0     0     0  .059  .49
MgM3     0     0     0 .9313  .49
MnM3     0     0     0 .0014  .49
CaM4     0 .2779    .5  .513  .97
NaM4     0 .2779    .5 .4675  .97
SiT1 .2758 .0848 .3030 .9475  .43
AlT1 .2758 .0848 .3030 .0077  .43
TiT1 .2758 .0848 .3030 .0447  .43
SiT2 .2845 .1718 .8083 .9475  .46
AlT2 .2845 .1718 .8083 .0077  .46
TiT2 .2845 .1718 .8083 .0447  .46
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Richterite
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Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(9) Potassium-fluor-richterite
_database_code_amcsd 0006445
10.025 18.034 5.286 90 104.98 90 C2/m
atom     x     y     z  occ  Biso
O1   .1103 .0854 .2202        .53
O2   .1171 .1694 .7258        .67
OH3  .1021     0 .7151 .2665  .78
F    .1021     0 .7151 .7335  .78
O4   .3608 .2485 .7985       1.05
O5   .3440 .1300 .1001        .94
O6   .3408 .1176 .5955        .94
O7   .3332     0 .3066        .76
KA       0    .5     0 .3326 2.00
KAm  .0283    .5 .0652 .3326 1.53
TiM1     0 .0886    .5 .0076  .66
FeM1     0 .0886    .5 .0606  .66
MgM1     0 .0886    .5 .9304  .66
MnM1     0 .0886    .5 .0015  .66
TiM2     0 .1791     0 .0076  .65
FeM2     0 .1791     0 .0606  .65
MgM2     0 .1791     0 .9304  .65
MnM2     0 .1791     0 .0015  .65
TiM3     0     0     0 .0076  .55
FeM3     0     0     0 .0606  .55
MgM3     0     0     0 .9304  .55
MnM3     0     0     0 .0015  .55
CaM4     0 .2780    .5  .515 1.01
NaM4     0 .2780    .5 .4675 1.01
SiT1 .2759 .0848 .3034 .9428  .46
AlT1 .2759 .0848 .3034 .0088  .46
TiT1 .2759 .0848 .3034 .0485  .46
SiT2 .2845 .1718 .8087 .9428  .49
AlT2 .2845 .1718 .8087 .0088  .49
TiT2 .2845 .1718 .8087 .0485  .49
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Richterite
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Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
 
European Journal of Mineralogy 4 (1992) 425-439
The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
Sample: R(12) Potassium-fluor-richterite
Note: z-coordinate of O2 corrected
_database_code_amcsd 0006446
10.028 18.039 5.289 90 105.04 90 C2/m
atom     x     y     z   occ Biso
O1   .1103 .0853 .2203        .51
O2   .1169 .1695 .7258        .66
OH3  .1021     0 .7152    2   .71
O4   .3611 .2485 .7990       1.09
O5   .3441 .1302 .1011        .97
O6   .3406 .1175 .5958        .96
O7   .3335     0 .3070        .79
KA       0    .5     0  .323 2.41
KAm  .0269    .5 .0598  .323 2.50
TiM1     0 .0885    .5  .006  .61
FeM1     0 .0885    .5 .0646  .61
MgM1     0 .0885    .5 .9283  .61
MnM1     0 .0885    .5  .001  .61
TiM2     0 .1789     0  .006  .62
FeM2     0 .1789     0 .0646  .62
MgM2     0 .1789     0 .9283  .62
MnM2     0 .1789     0  .001  .62
TiM3     0     0     0  .006  .49
FeM3     0     0     0 .0646  .49
MgM3     0     0     0 .9283  .49
MnM3     0     0     0  .001  .49
CaM4     0 .2781    .5 .5265  .95
NaM4     0 .2781    .5 .4595  .95
SiT1 .2759 .0848 .3038 .9456  .46
AlT1 .2759 .0848 .3038 .0096  .46
TiT1 .2759 .0848 .3038 .0447  .46
SiT2 .2845 .1718 .8093 .9456  .48
AlT2 .2845 .1718 .8093 .0096  .48
TiT2 .2845 .1718 .8093 .0447  .48
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Richterite
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Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
 
European Journal of Mineralogy 5 (1993) 43-51
The behaviour of Mn in amphiboles: Mn in richerite
Sample: MR(1)
_database_code_amcsd 0006464
9.891 18.018 5.276 90 104.15 90 C2/m
atom       x     y     z   occ Biso
NaA2/m     0    .5     0  .136 3.58
KA2/m      0    .5     0  .042 3.58
NaAm   .0368    .5 .0876  .136 3.53
KAm    .0368    .5 .0876  .042 3.53
NaA2       0 .4646     0  .136 2.06
KA2        0 .4646     0  .042 2.06
MgM1       0 .0888    .5   .95  .58
FeM1       0 .0888    .5   .05  .58
MgM2       0 .1800     0   .67  .61
AlM2       0 .1800     0   .04  .61
MnM2       0 .1800     0   .23  .61
FeM2       0 .1800     0   .06  .61
MgM3       0     0     0   .98  .55
FeM3       0     0     0   .02  .55
NaM4       0 .2742    .5 .2236 1.30
CaM4       0 .2742    .5 .1909 1.30
MnM4       0 .2742    .5 .0854 1.30
NaM4'      0 .2509    .5 .2236  .32
CaM4'      0 .2509    .5 .1909  .32
MnM4'      0 .2509    .5 .0854  .32
SiT1   .2789 .0847 .2932   .99  .49
AlT1   .2789 .0847 .2932   .01  .49
SiT2   .2877 .1709 .7992   .99   .5
AlT2   .2877 .1709 .7992   .01   .5
H      .1938     0 .7807  .835 1.35
O1     .1120 .0857 .2170        .58
O2     .1198 .1701 .7249        .66
O3     .1072     0 .7136  .835  .77
F      .1072     0 .7136  .165  .77
O4     .3639 .2476 .7897       1.01
O5     .3465 .1307 .0885        .89
O6     .3425 .1161 .5876        .92
O7     .3379     0 .2854       1.01
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Richterite
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Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
 
European Journal of Mineralogy 5 (1993) 43-51
The behaviour of Mn in amphiboles: Mn in richerite
Sample: MR(2)
_database_code_amcsd 0006465
9.892 18.027 5.278 90 104.09 90 C2/m
atom       x     y     z   occ Biso
NaA2/m     0    .5     0  .148 3.96
KA2/m      0    .5     0   .04 3.96
NaAm   .0378    .5 .0885  .148 3.60
KAm    .0378    .5 .0885   .04 3.60
NaA2       0 .4654     0  .148 3.45
KA2        0 .4654     0   .04 3.45
MgM1       0 .0887    .5   .96  .54
FeM1       0 .0887    .5   .04  .54
MgM2       0 .1800     0   .68  .61
AlM2       0 .1800     0   .02  .61
MnM2       0 .1800     0   .23  .61
FeM2       0 .1800     0   .07  .61
MgM3       0     0     0   .98  .50
FeM3       0     0     0   .02  .50
NaM4       0 .2752    .5   .22 1.15
MgM4       0 .2752    .5  .005 1.15
CaM4       0 .2752    .5 .1875 1.15
MnM4       0 .2752    .5 .0875 1.15
NaM4'      0 .2578    .5   .22  .84
MgM4'      0 .2578    .5  .005  .84
CaM4'      0 .2578    .5 .1875  .84
MnM4'      0 .2578    .5 .0875  .84
SiT1   .2789 .0847 .2932 .9875  .43
AlT1   .2789 .0847 .2932 .0125  .43
SiT2   .2876 .1709 .7991 .9875  .48
AlT2   .2876 .1709 .7991 .0125  .48
H      .1904     0 .7461   .83  .64
O1     .1119 .0858 .2168        .55
O2     .1198 .1701 .7244        .64
O3     .1074     0 .7135   .83  .69
F      .1074     0 .7135   .17  .69
O4     .3638 .2477 .7903       1.00
O5     .3464 .1307 .0885        .87
O6     .3426 .1162 .5877        .88
O7     .3378     0 .2858        .97
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Richterite
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Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
 
European Journal of Mineralogy 5 (1993) 43-51
The behaviour of Mn in amphiboles: Mn in richerite
Sample: MR(3)
_database_code_amcsd 0006466
9.909 18.030 5.278 90 104.23 90 C2/m
atom       x     y     z   occ Biso
NaA2/m     0    .5     0  .138 2.84
KA2/m      0    .5     0  .048 2.84
NaAm   .0351    .5 .0856  .138 2.77
KAm    .0351    .5 .0856  .048 2.77
NaA2       0 .4666     0  .138 2.90
KA2        0 .4666     0  .048 2.90
MgM1       0 .0888    .5   .95  .52
FeM1       0 .0888    .5   .05  .52
MgM2       0 .1798     0   .69  .61
AlM2       0 .1798     0   .02  .61
MnM2       0 .1798     0   .23  .61
FeM2       0 .1798     0   .06  .61
MgM3       0     0     0   .98  .50
FeM3       0     0     0   .02  .50
NaM4       0 .2756    .5 .2025 1.14
MgM4       0 .2756    .5  .005 1.14
CaM4       0 .2756    .5   .22 1.14
MnM4       0 .2756    .5 .0725 1.14
NaM4'      0 .2558    .5 .2025  .89
MgM4'      0 .2558    .5  .005  .89
CaM4'      0 .2558    .5   .22  .89
MnM4'      0 .2558    .5 .0725  .89
SiT1   .2786 .0847 .2944   .98  .42
AlT1   .2786 .0847 .2944   .02  .42
SiT2   .2874 .1709 .8002   .98  .46
AlT2   .2874 .1709 .8002   .02  .46
H      .1836     0 .7468   .85 3.10
O1     .1115 .0858 .2171        .55
O2     .1197 .1702 .7247        .63
O3     .1071     0 .7138   .85  .69
F      .1071     0 .7138   .15  .69
O4     .3638 .2476 .7904        .96
O5     .3462 .1311 .0906        .85
O6     .3425 .1160 .5898        .85
O7     .3376     0 .2860        .94
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Richterite
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Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
 
European Journal of Mineralogy 5 (1993) 43-51
The behaviour of Mn in amphiboles: Mn in richerite
Sample: MR(4)
_database_code_amcsd 0006467
9.966 18.066 5.279 90 104.40 90 C2/m
atom       x     y     z   occ Biso
NaA2/m     0    .5     0   .11 3.81
KA2/m      0    .5     0   .07 3.81
NaAm   .0272    .5 .0763   .11 4.93
KAm    .0272    .5 .0763   .07 4.93
NaA2       0 .4679     0   .11 1.86
KA2        0 .4679     0   .07 1.86
MgM1       0 .0888    .5   .93  .56
FeM1       0 .0888    .5   .07  .56
MgM2       0 .1806     0   .54  .64
AlM2       0 .1806     0   .03  .64
MnM2       0 .1806     0   .41  .64
FeM2       0 .1806     0   .02  .64
MgM3       0     0     0   .98  .54
FeM3       0     0     0   .02  .54
NaM4       0 .2768    .5  .225  .99
MgM4       0 .2768    .5 .0125  .99
CaM4       0 .2768    .5   .23  .99
MnM4       0 .2768    .5 .0325  .99
NaM4'      0 .2604    .5  .225 1.24
MgM4'      0 .2604    .5 .0125 1.24
CaM4'      0 .2604    .5   .23 1.24
MnM4'      0 .2604    .5 .0325 1.24
SiT1   .2774 .0845 .2950 .9925  .47
AlT1   .2774 .0845 .2950 .0075  .47
SiT2   .2860 .1707 .8001 .9925  .49
AlT2   .2860 .1707 .8001 .0075  .49
H      .1881     0 .7640  .825 2.11
O1     .1117 .0854 .2181        .61
O2     .1195 .1697 .7235        .69
O3     .1066     0 .7147  .825  .76
F      .1066     0 .7147  .175  .76
O4     .3621 .2471 .7927        .94
O5     .3445 .1301 .0898        .81
O6     .3416 .1163 .5889        .83
O7     .3358     0 .2911        .95
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Richterite
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Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
 
European Journal of Mineralogy 5 (1993) 43-51
The behaviour of Mn in amphiboles: Mn in richerite
Sample: MR(5) using occupancies from MR(4)
_database_code_amcsd 0006468
9.974 18.078 5.282 90 104.36 90 C2/m
atom       x     y     z   occ Biso
NaA2/m     0    .5     0   .11 3.76
KA2/m      0    .5     0   .07 3.76
NaAm   .0331    .5 .0816   .11 4.57
KAm    .0331    .5 .0816   .07 4.57
NaA2       0 .4711     0   .11 2.16
KA2        0 .4711     0   .07 2.16
MgM1       0 .0888    .5   .93  .51
FeM1       0 .0888    .5   .07  .51
MgM2       0 .1807     0   .54  .60
AlM2       0 .1807     0   .03  .60
MnM2       0 .1807     0   .41  .60
FeM2       0 .1807     0   .02  .60
MgM3       0     0     0   .98  .49
FeM3       0     0     0   .02  .49
NaM4       0 .2769    .5  .225  .94
MgM4       0 .2769    .5 .0125  .94
CaM4       0 .2769    .5   .23  .94
MnM4       0 .2769    .5 .0325  .94
NaM4'      0 .2578    .5  .225  .98
MgM4'      0 .2578    .5 .0125  .98
CaM4'      0 .2578    .5   .23  .98
MnM4'      0 .2578    .5 .0325  .98
SiT1   .2773 .0845 .2949 .9925  .42
AlT1   .2773 .0845 .2949 .0075  .42
SiT2   .2860 .1707 .8000 .9925  .45
AlT2   .2860 .1707 .8000 .0075  .45
H      .1939     0 .7591  .825 2.18
O1     .1117 .0854 .2179        .58
O2     .1195 .1697 .7230        .67
O3     .1066     0 .7149  .825  .69
F      .1066     0 .7149  .175  .69
O4     .3622 .2470 .7925        .93
O5     .3443 .1301 .0897        .80
O6     .3414 .1164 .5888        .82
O7     .3357     0 .2914        .91
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Tremolite
Download hom/tremolite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
 
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(1)
_database_code_amcsd 0006601
9.810 18.091 5.294 90 104.58 90 C2/m
atom      x     y     z   occ Biso
NaA       0   1/2     0  .022 1.82
KA        0   1/2     0  .008 1.82
NaAm  .0282   1/2 .0573  .022 2.52
KAm   .0282   1/2 .0573  .008 2.52
NaA2      0 .4807     0  .022 2.50
KA2       0 .4807     0  .008 2.50
FeM1      0 .0886   1/2   .22  .59
MgM1      0 .0886   1/2   .78  .59
AlM2      0 .1771     0   .08  .55
FeM2      0 .1771     0   .21  .55
MgM2      0 .1771     0   .71  .55
AlM3      0     0     0   .05  .68
FeM3      0     0     0   .28  .68
MgM3      0     0     0   .67  .68
CaM4      0 .2778   1/2 .4175  .89
NaM4      0 .2778   1/2   .01  .89
MnM4      0 .2778   1/2 .0075  .89
FeM4      0 .2778   1/2  .065  .89
CaM4'     0 .2528   1/2 .4175 2.48
NaM4'     0 .2528   1/2   .01 2.48
MnM4'     0 .2528   1/2 .0075 2.48
FeM4'     0 .2528   1/2  .065 2.48
SiT1  .2808 .0846 .2964  .845  .53
AlT1  .2808 .0846 .2964  .155  .53
SiT2  .2900 .1715 .8055        .59
H     .2013     0 .7459 .9865  .80
O1    .1099 .0878 .2149        .77
O2    .1202 .1727 .7279        .69
O3    .1104     0 .7132 .9865  .84
F3    .1104     0 .7132 .0135  .84
O4    .3672 .2483 .7901        .96
O5    .3476 .1360 .1002       1.05
O6    .3437 .1185 .5919        .97
O7    .3368     0 .2878       1.09
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Magnesiohornblende
Download hom/magnesiohornblende.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
 
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(3)
_database_code_amcsd 0006602
9.856 18.078 5.311 90 104.85 90 C2/m
atom      x     y     z   occ Biso
NaA       0   1/2     0  .056 1.61
KA        0   1/2     0  .026 1.61
NaAm  .0436   1/2 .0924  .056 1.33
KAm   .0436   1/2 .0924  .026 1.33
NaA2      0 .4700     0  .056 2.50
KA2       0 .4700     0  .026 2.50
FeM1      0 .0888   1/2    .3  .54
MgM1      0 .0888   1/2    .7  .54
AlM2      0 .1777     0   .11  .47
TiM2      0 .1777     0  .075  .47
FeM2      0 .1777     0   .26  .47
MgM2      0 .1777     0  .555  .47
AlM3      0     0     0   .03  .49
FeM3      0     0     0   .34  .49
MgM3      0     0     0   .63  .49
CaM4      0 .2789   1/2 .4525  .88
MnM4      0 .2789   1/2  .005  .88
FeM4      0 .2789   1/2 .0425  .88
CaM4'     0 .2533   1/2 .4525  .69
MnM4'     0 .2533   1/2  .005  .69
FeM4'     0 .2533   1/2 .0425  .69
SiT1  .2804 .0850 .2987   .78  .44
AlT1  .2804 .0850 .2987   .22  .44
SiT2  .2901 .1718 .8082   .95  .51
AlT2  .2901 .1718 .8082   .05  .51
H     .1950     0 .7587 .9765   .5
O1    .1090 .0884 .2150        .69
O2    .1194 .1734 .7296        .71
O3    .1105     0 .7138 .9765  .78
F3    .1105     0 .7138 .0235  .78
O4    .3676 .2489 .7908        .91
O5    .3479 .1369 .1043        .96
O6    .3429 .1183 .5958        .93
O7    .3356     0 .2863       1.03
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Pargasite
Download hom/pargasite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
 
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(5)
_database_code_amcsd 0006603
9.869 18.058 5.320 90 105.03 90 C2/m
atom      x     y     z   occ Biso
NaA       0   1/2     0  .078 3.54
KA        0   1/2     0   .02 3.54
NaAm  .0362   1/2 .0719  .078 4.89
KAm   .0362   1/2 .0719   .02 4.89
NaA2      0 .4670     0  .078 1.90
KA2       0 .4670     0   .02 1.90
FeM1      0 .0888   1/2   .31  .57
MgM1      0 .0888   1/2   .69  .57
AlM2      0 .1779     0   .15  .52
TiM2      0 .1779     0  .105  .52
FeM2      0 .1779     0  .245  .52
MgM2      0 .1779     0    .5  .52
AlM3      0     0     0   .05  .51
FeM3      0     0     0   .35  .51
MgM3      0     0     0    .6  .51
CaM4      0 .2798   1/2 .4625  .83
NaM4      0 .2798   1/2   .01  .83
MnM4      0 .2798   1/2  .005  .83
FeM4      0 .2798   1/2 .0225  .83
CaM4'     0 .2541   1/2 .4625  .70
NaM4'     0 .2541   1/2   .01  .70
MnM4'     0 .2541   1/2  .005  .70
FeM4'     0 .2541   1/2 .0225  .70
SiT1  .2806 .0852 .3007 .9475  .44
AlT1  .2806 .0852 .3007 .0525  .44
SiT2  .2906 .1721 .8111  .925  .48
AlT2  .2906 .1721 .8111  .075  .48
H     .1903     0 .7648  .979 2.94
O1    .1080 .0888 .2152        .73
O2    .1187 .1738 .7327        .71
O3    .1095     0 .7141  .979  .79
F3    .1095     0 .7141  .021  .79
O4    .3685 .2496 .7906        .93
O5    .3492 .1386 .1095        .96
O6    .3429 .1177 .6012       1.00
O7    .3360     0 .2821       1.14
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Pargasite
Download hom/pargasite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
 
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(6)
Note: O(5) y-coordinate changed to reproduce reported bond lengths
_database_code_amcsd 0006604
9.867 18.044 5.318 90 105.06 90 C2/m
atom      x     y     z  occ Biso
NaA       0   1/2     0  .09 5.76
KA        0   1/2     0  .02 5.76
NaAm  .0341   1/2 .0664  .09 3.97
KAm   .0341   1/2 .0664  .02 3.97
NaA2      0 .4664     0  .09 5.09
KA2       0 .4664     0  .02 5.09
MgM1      0 .0889   1/2  .69  .63
FeM1      0 .0889   1/2  .31  .63
MgM2      0 .1779     0  .49  .58
AlM2      0 .1779     0  .16  .58
TiM2      0 .1779     0 .105  .58
FeM2      0 .1779     0 .235  .58
NiM2      0 .1779     0 .005  .58
ZnM2      0 .1779     0 .005  .58
MgM3      0     0     0  .61  .55
AlM3      0     0     0  .05  .55
FeM3      0     0     0  .34  .55
CaM4      0 .2799   1/2  .46  .90
MnM4      0 .2799   1/2 .005  .90
FeM4      0 .2799   1/2 .035  .90
CaM4'     0 .2526   1/2  .46  .76
MnM4'     0 .2526   1/2 .005  .76
FeM4'     0 .2526   1/2 .035  .76
AlT1  .2806 .0853 .3011  .05  .48
SiT1  .2806 .0853 .3011  .95  .48
AlT2  .2907 .1721 .8116  .10  .52
SiT2  .2907 .1721 .8116  .90  .52
H     .1897     0 .7511 .986 2.51
O1    .1079 .0889 .2147       .77
O2    .1186 .1740 .7330       .73
O3    .1093     0 .7143 .986  .81
F3    .1093     0 .7143 .014  .81
O4    .3687 .2497 .7905       .97
O5    .3492 .1386 .1104      1.00
O6    .3428 .1176 .6017      1.03
O7    .3358     0 .2819      1.20
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Pargasite
Download hom/pargasite.pdf
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
 
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(7)
_database_code_amcsd 0006605
9.870 18.046 5.318 90 105.04 90 C2/m
atom      x     y     z   occ Biso
NaA       0   1/2     0  .092 3.03
KA        0   1/2     0   .02 3.03
NaAm  .0408   1/2 .0875  .092 4.20
KAm   .0408   1/2 .0875   .02 4.20
NaA2      0  .491     0  .092 2.79
KA2       0  .491     0   .02 2.79
MgM1      0 .0887   1/2   .71  .60
FeM1      0 .0887   1/2   .29  .60
MgM2      0 .1778     0  .505  .54
AlM2      0 .1778     0  .125  .54
TiM2      0 .1778     0  .165  .54
FeM2      0 .1778     0  .205  .54
MgM3      0     0     0   .63  .54
AlM3      0     0     0   .05  .54
FeM3      0     0     0   .32  .54
NaM4      0 .2803   1/2 .0025  .74
CaM4      0 .2803   1/2 .4575  .74
MnM4      0 .2803   1/2  .005  .74
FeM4      0 .2803   1/2  .035  .74
NaM4'     0 .2580   1/2 .0025  .62
CaM4'     0 .2580   1/2 .4575  .62
MnM4'     0 .2580   1/2  .005  .62
FeM4'     0 .2580   1/2  .035  .62
AlT1  .2807 .0853 .3011  .065  .47
SiT1  .2807 .0853 .3011  .935  .47
AlT2  .2907 .1722 .8114 .1075  .50
SiT2  .2907 .1722 .8114 .8925  .50
H     .2003     0 .7683  .979 1.53
O1    .1080 .0886 .2154        .72
O2    .1186 .1738 .7329        .72
O3    .1094     0 .7144  .979  .81
F3    .1094     0 .7144  .021  .81
O4    .3684 .2498 .7903        .94
O5    .3493 .1389 .1102       1.00
O6    .3431 .1174 .6022       1.03
O7    .3368     0 .2812       1.19
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Chiavennite
Download hom/chiavennite.pdf
Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E
 
European Journal of Mineralogy 7 (1995) 1339-1334
The crystal structure of chiavennite
_database_code_amcsd 0006609
8.729 31.326 4.903 90 90 90 Pnab
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .2500  .0879      0 .0183  .0275  .0138  .0138      0  .0004      0
Mn        0      0      0 .0152  .0234  .0122  .0099 -.0018      0  .0005
Be   -.0003  .0572 -.4298 .0090  .0166  .0075  .0029 -.0010  .0056 -.0030
Si1   .2500  .0013  .5000 .0124  .0170  .0100  .0101      0 -.0014      0
Si2   .5838  .2322  .1047 .0185  .0222  .0113  .0218  .0022  .0023  .0009
Si3   .1425 -.1351  .2436 .0194  .0213  .0120  .0250 -.0005 -.0028  .0013
O1    .1392 -.0279  .3134 .0155  .0169  .0124  .0171 -.0011 -.0019 -.0039
O2    .1517  .0324 -.2957 .0153  .0196  .0123  .0139  .0011 -.0007 -.0015
O3    .0414  .2391  .1347 .0409  .0357  .0431  .0437  .0011 -.0136 -.0149
O4    .2500 -.2478      0 .0285  .0294  .0190  .0371      0  .0088      0
O5    .2500 -.1187      0 .0773  .0768  .0314  .1236      0  .0821      0
O6    .2500 -.1387  .5000 .1049  .1139  .0510  .1497      0 -.1032      0
O7    .0800 -.1824  .1773 .0342  .0350  .0141  .0534 -.0026  .0091 -.0109
O8    .0005 -.1044  .2905 .0207  .0250  .0132  .0239 -.0033  .0043 -.0058
OH    .0125  .0581  .2430 .0207  .0266  .0162  .0192  .0017 -.0029 -.0001
Wat   .1581  .1474  .2602 .0371  .0431  .0322  .0359  .0098 -.0032 -.0139
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Bavenite
Download hom/bavenite.pdf
Cannillo E, Coda A, Fagnani G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=20&spage=301
Acta Crystallographica 20 (1966) 301-309
The crystal structure of bavenite
_database_code_amcsd 0009299
23.19 5.005 19.39 90 90 90 Cmcm
atom     x     y     z Biso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca   .0842 .2425 .1524 1.29 .01440 .02234 .01225  .00000  .00000  .00125
Be2  .1252 .8218   .25 1.37 .02402 .01597 .01210  .00389       0       0
Al4  .0958    .5     0  .97 .01000 .01689 .01000       0       0  .00024
Si1      0 .7802   .25  .77 .00490 .01440 .01000       0       0       0
Si3      0 .7227 .1047  .92 .01000 .01690 .00810       0       0       0
Si5  .1704     0     0  .94 .00810 .01956 .00813       0       0  .00060
Si6  .2141 .8539 .1428  .81 .00816 .01433 .00810 -.00065  .00000  .00000
O1       0 .5769 .1830  .88 .01690 .00758 .00881       0       0 -.00169
O2       0 .0302 .1139 1.36 .01690 .02250 .01210       0       0  .00000
O3   .0572 .5976 .0718 1.47 .01902 .02371 .01300  .00352  .00485 -.00035
O4   .1314 .2298 .0361 1.29 .01618 .01952 .01325  .00335  .00218  .00238
O5   .2081 .8636 .0598 1.21 .01381 .01827 .01390  .00255 -.00131 -.00022
O6   .2337 .5575 .1646 1.18 .01058 .02129 .01290 -.00102  .00056  .00343
O7   .1547 .9245 .1799 1.14 .01396 .01588 .01344 -.00135  .00072  .00123
O8   .1211 .4868   .25 1.22 .01059 .01631 .01960 -.00192       0       0
O9   .0586 .9504   .25  .91 .00813 .01210 .01440  .00034       0       0
H     .100  .267   .25
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Neptunite
Download hom/neptunite.pdf
Cannillo E, Mazzi F, Rossi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=21&spage=200
Acta Crystallographica 21 (1966) 200-208
The crystal structure of neptunite
Locality: San Benito, California, USA
_database_code_amcsd 0018847
16.46 12.50 10.01 90 115.43 90 C2/c
atom      x     y     z occ Biso
Fe2+1 .3402 .3211 .0983  .5 1.52
Ti1   .3402 .3211 .0983  .5 1.52
Fe2+2 .0883 .0561 .1128  .5 1.52
Ti2   .0883 .0561 .1128  .5 1.52
Na    .2640 .1983 .3094     2.06
K         0 .4204   .25     1.72
Li       .5 .4353   .25     4.47
Si1   .1452 .4060 .0566       .8
Si2   .5233 .2280 .0855       .8
Si3   .7698 .4741 .1083       .8
Si4   .8942 .1491 .0816       .8
O1    .9538 .0446 .0688     1.44
O2    .4549 .3253 .0666     1.44
O3    .1099 .1673 .2664     1.44
O4    .3723 .4387 .2348     1.44
O5    .2050 .0796 .0888     1.44
O6    .7122 .3677 .0427     1.44
O7    .2088 .3077 .0707     1.44
O8    .8339 .4919 .0239     1.44
O9    .1592 .4505 .2148     1.44
O10   .3975 .2104 .2541     1.44
O11   .4613 .1173 .0239     1.44
O12   .9291 .2562 .0316     1.44
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Leucophanite
Download hom/leucophanite.pdf
Cannillo E, Giuseppetti G, Mazzi F, Tazzoli V
Download zk/vol202/ZK202_71.pdf
Zeitschrift fur Kristallographie 202 (1992) 71-79
The crystal structure of a rare earth bearing leucophanite:
(Ca,RE)CaNa2Be2Si4O12(F,O)2
Locality: Mt Saint Hilaire, Quebec, Canada
_database_code_amcsd 0011026
7.417 7.398 9.986 90 90 90 P1
atom        x      y      z  occ  Uiso
Caa     .1037 -.1711  .0096  .92 .0098
CeCaa   .1037 -.1711  .0096 .032 .0098
NdCaa   .1037 -.1711  .0096 .024 .0098
LaCaa   .1037 -.1711  .0096 .016 .0098
PrCaa   .1037 -.1711  .0096 .008 .0098
Cab    -.1030  .3306  .4904  .82 .0105
CeCab  -.1030  .3306  .4904 .072 .0105
NdCab  -.1030  .3306  .4904 .054 .0105
LaCab  -.1030  .3306  .4904 .036 .0105
PrCab  -.1030  .3306  .4904 .018 .0105
Cac     .3963  .1720 -.4903  .98 .0115
CeCac   .3963  .1720 -.4903 .008 .0115
NdCac   .3963  .1720 -.4903 .006 .0115
LaCac   .3963  .1720 -.4903 .004 .0115
PrCac   .3963  .1720 -.4903 .002 .0115
Cad    -.3963 -.3282 -.0100  .98 .0107
CeCad  -.3963 -.3282 -.0100 .008 .0107
NdCad  -.3963 -.3282 -.0100 .006 .0107
LaCad  -.3963 -.3282 -.0100 .004 .0107
PrCad  -.3963 -.3282 -.0100 .002 .0107
Naa     .0742 -.1473  .4973  .93 .0204
CaNaa   .0742 -.1473  .4973  .07 .0204
Nab    -.0734  .3526  .0034  .98 .0202
CaNab  -.0734  .3526  .0034  .02 .0202
Nac     .4279  .1481 -.0027  .87 .0206
CaNac   .4279  .1481 -.0027  .13 .0206
Nad    -.4315 -.3515 -.4952  .98 .0228
CaNac  -.4315 -.3515 -.4952  .02 .0228
Bea     .1109  .1313  .2803  .97 .0078
SiBea   .1109  .1313  .2803  .03 .0078
Beb    -.1095 -.3686  .2197  .94 .0000
SiBeb  -.1095 -.3686  .2197  .06 .0000
Bec     .3905 -.1310 -.2199  .98 .0063
SiBec   .3905 -.1310 -.2199  .02 .0063
Bed    -.3916  .3692 -.2803  .96 .0076
SiBed  -.3916  .3692 -.2803  .04 .0076
Si1a   -.2583  .0131 -.2508      .0063
Si1b    .2575 -.4870 -.2492      .0063
Si1c   -.2415 -.0125  .2490      .0065
Si1d    .2419  .4873  .2503      .0067
Si2a    .1077  .1504 -.2256      .0063
Si2b   -.1086 -.3492 -.2741  .94 .0051
BeSi2b -.1086 -.3492 -.2741  .06 .0051
Si2c    .3922 -.1499  .2737  .97 .0054
BeSi2c  .3922 -.1499  .2737  .03 .0054
Si2d   -.3918  .3502  .2258  .94 .0057
BeSi2d -.3918  .3502  .2258  .06 .0057
O1a     .2420  .0063 -.1610      .0094
O1b    -.2431 -.4934 -.3393      .0099
O1c     .2581 -.0051  .3387      .0091
O1d    -.2581  .4950  .1606      .0093
O2a     .1031  .1594 -.3844      .0104
O2b    -.1031 -.3410 -.1156      .0098
O2c     .3948 -.1582  .1148      .0098
O2d    -.3936  .3419  .3845      .0099
O3a    -.1638 -.1508 -.3394      .0098
O3b     .1631  .3488 -.1606      .0000
O3c     .6641  .1515  .1609      .0096
O3d     .3360 -.3488  .3385      .0099
O4a    -.1620 -.1692  .1531      .0105
O4b     .1622  .3308  .3462      .0099
O4c    -.3357  .1703 -.3468      .0097
O4d     .3355 -.3301 -.1536      .0094
O5a    -.0881  .0742  .3435      .0096
O5b     .0886 -.4258  .1563      .0093
O5c    -.4121 -.0732 -.1576      .0092
O5d     .4110  .4263 -.3428      .0094
O6a    -.0918  .1010 -.1605      .0000
O6b     .0909 -.3993 -.3393      .0000
O6c    -.4071 -.1024  .3383      .0098
O6d     .4079  .3977  .1609      .0104
Fa      .1033  .1282  .1224  .94 .0144
OFa     .1033  .1282  .1224  .06 .0144
Fb     -.1020 -.3716  .3775  .79 .0131
OFb    -.1020 -.3716  .3775  .21 .0131
Fc      .3957 -.1294 -.3771  .87 .0131
OFc     .3957 -.1294 -.3771  .13 .0131
Fd     -.3971  .3711 -.1228  .86 .0136
OFd    -.3971  .3711 -.1228  .14 .0136
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Macdonaldite
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Cannillo E, Rossi G, Ungaretti L
 
Atti della Accademia Nazionale dei Lincei 45 (1968) 399-414
The crystal structure of macdonaldite
Locality: Fresno County, California, USA
Note: x(Si4) corrected
_database_code_amcsd 0012053
14.081 13.109 23.560 90 90 90 Cmcm
atom      x     y      z occ Biso
Ba        0 .2054    .25      .70
Ca1       0 .2522 -.0022      .55
Ca2     .25   .25      0      .40
Si1   .1098 .1473  .1153      .17
Si2   .3895 .1406  .1170      .24
Si3   .2524 .2695  .1835      .08
Si4   .2512 .4642  .1025      .10
O1    .1212 .2073  .0582     1.14
O2    .1542 .2098  .1701     1.28
O3    .2536 .4234  .0386     1.12
O4    .1568 .0352  .1149     1.76
O5    .2571 .3699  .1476     1.21
O6    .3751 .1998  .0599     1.17
O7    .3464 .0251  .1159     2.37
O8    .3419 .1974  .1714     1.20
Wat9      0 .1319  .1348      .64
Wat10 .2491 .3002    .25     1.22
Wat11    .5 .1239  .1339     1.07
Wat12     0 .4217  .0404     5.36
Wat13     0 .3830  .1825     5.52
O14      .5 .3823  .1682 .64 4.63
O15      .5 .4188  .0407     6.43
O16   .1051 .0227    .25     2.74
Wat17 .3574 .0112    .25 .56 6.30
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Delhayelite
Download hom/delhayelite.pdf
Cannillo E, Rossi G, Ungaretti L
 
Rendiconti della Societa Italiana di Mineralogia e Petrologia 26 (1970) 63-75
The crystal structure of delhayelite
_database_code_amcsd 0015364
24.86 7.07 6.53 90 90 90 *Pmmn
-.25 -.25 0
atom     x     y     z occ Biso
K1   .1322   .25 .7804 .88 1.95
K2     .25   .25 .3721  .9 2.76
K3     .25   .75 .0195 .85 4.45
Na       0     0     0 .75 1.07
CaNa     0     0     0 .25 1.07
Ca   .0067   .75 .5034      .81
Al1  .1828   .75 .5342  .5  .59
Si1  .1125 .4656 .2818      .51
Si2  .1828   .75 .5342  .5  .59
Si3  .1065   .75 .9188      .70
O1   .0550 .4818 .3845     3.76
O2   .1618 .5510 .4135     4.01
O3   .1124 .5675 .0601     3.28
O4   .0491   .75 .8164     1.64
O5   .1580   .75 .7738     2.73
O6   .1295   .25 .2433     2.96
O7     .25   .75 .5392     2.32
Cl     .25   .25 .8793  .9 3.83
F    .0297   .25 .8146     2.02
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Gotzenite
Download hom/gotzenite.pdf
Cannillo E, Mazzi F, Rossi G
 
Soviet Physics Crystallography 16 (1972) 1026-1030
Crystal structure of gotzenite
Locality: Mount Shaheru, Republic of Congo
_database_code_amcsd 0015555
9.667 5.731 7.334 90 101.05 101.31 P-1
atom     x     y     z Biso
Ca1  .6389 .2115 .9097  .07
Ca2  .9859 .4955 .2418  .57
Ca3  .6305 .2268 .4075  .17
Na       0     0    .5 1.21
Ti       0     0     0  .93
Si1  .7197 .7475 .6460  .74
Si2  .7210 .7471 .2100  .27
O1    .762  .784  .443 2.33
O2    .619  .927  .673  .02
O3    .614  .925  .127 1.45
O4    .636  .472  .665 2.09
O5    .675  .465  .162 1.09
O6    .879  .819  .778 1.72
O7    .881  .830  .171 1.47
O8    .884  .256  .969  .28
O9    .890  .313  .475  .53
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