American Mineralogist Crystal Structure Database

46 matching records for this search.

Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #25 from Guanajuato
Note: U(1,2) of WatB/NaB changed to match symmetry constraints
_database_code_amcsd 0001415
10.410 10.410 13.845 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)
CaA     1/3    2/3  .2437   .5 .0189
NaB     1/3    2/3  .0404 .047       0.0685 0.0685 0.0695 .03425      0      0
WatB    1/3    2/3  .0404 .167       0.0685 0.0685 0.0695 .03425      0      0
KC        0      0    .25            0.0206 0.0206 0.0204 0.0103      0      0
Si1  .08239 .33642 .11217            0.0100 0.0117 0.0067 0.0053 -.0005 -.0008
Al2       0     .5    .25  .27       0.0110 0.0101 0.0074 0.0055      0      0
Be2       0     .5    .25  .73       0.0110 0.0101 0.0074 0.0055      0      0
O1    .0954  .3835      0            0.0290 0.0222 0.0071 0.0128      0      0
O2    .1957  .2761  .1342            0.0178 0.0244 0.0160 0.0146 -.0017 -.0029
O3    .1160  .4730  .1804            0.0145 0.0138 0.0104 0.0074 -.0003 -.0028
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View JMOL 3-D Structure (permalink)
 
Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #33 from Tittling
Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints
_database_code_amcsd 0001416
10.404 10.404 13.825 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)
CaA     1/3    2/3  .2410 .492 .0154
YA      1/3    2/3  .2410 .008 .0154
NaB     1/3    2/3  .0349 .060       0.0427 0.0427 0.0900 .02135      0      0
WatB    1/3    2/3  .0349 .180       0.0427 0.0427 0.0900 .02135      0      0
KC        0      0    .25            0.0183 0.0183 0.0204 .00915      0      0
Si1  .08168 .33625 .11257            0.0087 0.0103 0.0073 0.0047 -.0003 -.0007
Al2       0     .5    .25 .243       0.0098 0.0093 0.0081 0.0049      0      0
Be2       0     .5    .25 .757       0.0098 0.0093 0.0081 0.0049      0      0
O1    .0946  .3830      0            0.0298 0.0208 0.0068 0.0129      0      0
O2    .1951  .2759  .1340            0.0169 0.0230 0.0162 0.0145 -.0022 -.0024
O3    .1154  .4729  .1804            0.0131 0.0125 0.0112 0.0070 -.0006 -.0024
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Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #35 from east Siberia
Note: U(1,2) of WatB/NaB changed to match symmetry constraints
_database_code_amcsd 0001417
10.415 10.415 13.763 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)
CaA     1/3    2/3  .2372   .5 .0159
WatB    1/3    2/3  .0250 .230       0.0361 0.0361 0.1214 .01805      0      0
NaB     1/3    2/3  .0250 .112       0.0361 0.0361 0.1214 .01805      0      0
KC        0      0    .25            0.0186 0.0186 0.0196 0.0093      0      0
Si1  .07988 .33542 .11324            0.0095 0.0112 0.0069 0.0052 -.0006 -.0011
Al2       0     .5    .25  .18       0.0080 0.0079 0.0083 0.0040      0      0
Be2       0     .5    .25  .82       0.0080 0.0079 0.0083 0.0040      0      0
O1    .0929  .3822      0            0.0332 0.0234 0.0073 0.0146      0      0
O2    .1939  .2758  .1347            0.0190 0.0256 0.0172 0.0159 -.0033 -.0045
O3    .1142  .4727  .1807            0.0157 0.0132 0.0112 0.0082 -.0002 -.0030
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Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #30 from Rossing
_database_code_amcsd 0001418
10.396 10.396 13.781 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)
CaA    1/3   2/3 .2390   .5 .0141
WatB   1/3   2/3 .0298 .235       0.0548 0.0548 0.0927 0.0274      0      0
NaB    1/3   2/3 .0298 .087       0.0548 0.0548 0.0927 0.0274      0      0
KC       0     0   .25            0.0172 0.0172 0.0207 0.0086      0      0
Si1  .0811 .3363 .1127            0.0075 0.0095 0.0074 0.0043 -.0005 -.0011
Al2      0    .5   .25 .217       0.0094 0.0048 0.0093 0.0047      0      0
Be2      0    .5   .25 .783       0.0094 0.0048 0.0093 0.0047      0      0
O1   .0940 .3837     0            0.0330 0.0225 0.0067 0.0155      0      0
O2   .1949 .2759 .1342            0.0159 0.0235 0.0188 0.0146 -.0034 -.0046
O3   .1147 .4733 .1809            0.0120 0.0110 0.0098 0.0060 -.0006 -.0023
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Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #36 from Jaguaracu
_database_code_amcsd 0001419
10.342 10.342 13.777 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)
CaA     1/3    2/3 .23572 .383 .0046
YA      1/3    2/3 .23572 .117 .0046
NaB     1/3    2/3  .0499 .012       0.0578 0.0578 0.0649 0.0289      0      0
KC        0      0    .25            0.0182 0.0182 0.0216 0.0091      0      0
Si1  .08132 .33844 .11249            0.0077 0.0107 0.0078 0.0047 -.0004 -.0013
Al2       0     .5    .25 .160       0.0104 0.0105 0.0083 0.0052      0      0
Be3       0     .5    .25 .840       0.0104 0.0105 0.0083 0.0052      0      0
O1    .0946  .3873      0            0.0319 0.0206 0.0080 0.0123      0      0
O2    .1959  .2779  .1333            0.0168 0.0244 0.0197 0.0154 -.0036 -.0052
O3    .1158  .4751  .1821            0.0118 0.0129 0.0113 0.0065 0.0005 -.0028
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View JMOL 3-D Structure (permalink)
 
Milarite
Download hom/milarite.pdf
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D
Download am/vol76/AM76_1836.pdf
American Mineralogist 76 (1991) 1836-1856
The crystal chemistry of the milarite-group minerals
sample #37 from Strange Lake
_database_code_amcsd 0001420
10.340 10.340 13.758 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)
CaA     1/3   2/3  .2314 .345 .0084
YA      1/3   2/3  .2314 .155 .0084
NaB     1/3   2/3   .050 .005       0.0238 0.0238 0.0327 0.0119      0      0
KC        0     0    .25            0.0172 0.0172 0.0197 0.0086      0      0
Si1  .08085 .3380 .11262            0.0069 0.0095 0.0051 0.0041 -.0002 -.0011
Al2       0    .5    .25  .12       0.0058 0.0048 0.0032 0.0029      0      0
Be2       0    .5    .25  .88       0.0058 0.0048 0.0032 0.0029      0      0
O1    .0941 .3872      0            0.0315 0.0203 0.0042 0.0129      0      0
O2    .1959 .2776  .1327            0.0156 0.0234 0.0175 0.0157 -.0037 -.0044
O3    .1155 .4747  .1822            0.0108 0.0112 0.0088 0.0069 -.0002 -.0027
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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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Phlogopite
Download hom/phlogopite.pdf
Hawthorne F C, Teertstra D K, Cerny P
Download am/vol84/AM84_778.pdf
American Mineralogist 84 (1999) 778-781
Crystal-structure refinement of a rubidian cesian phlogopite
_database_code_amcsd 0002225
5.343 9.247 10.397 90 100.04 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 .462       .0185  .0268  .0297      0  .0056      0
Rb       0    .5     0 .275       .0185  .0268  .0297      0  .0056      0
Cs       0    .5     0 .233       .0185  .0268  .0297      0  .0056      0
Mg1      0     0    .5  .48       .0021  .0074  .0192      0  .0049      0
Fe1      0     0    .5  .40       .0021  .0074  .0192      0  .0049      0
Li1      0     0    .5  .12       .0021  .0074  .0192      0  .0049      0
Al2      0 .3331    .5  .19       .0023  .0117  .0192      0  .0035      0
Ti2      0 .3331    .5  .02       .0023  .0117  .0192      0  .0035      0
Mg2      0 .3331    .5  .38       .0023  .0117  .0192      0  .0035      0
Fe2      0 .3331    .5  .32       .0023  .0117  .0192      0  .0035      0
Li2      0 .3331    .5  .09       .0023  .0117  .0192      0  .0035      0
Si   .0785 .1668 .2328  .73       .0037  .0112  .0188  .0001  .0023  .0003
Al   .0785 .1668 .2328  .27       .0037  .0112  .0188  .0001  .0023  .0003
H     .117    .5  .306      .010
O1   .0419     0 .1765            .0204  .0185  .0267      0  .0031      0
O2   .3171 .2411 .1748            .0167  .0324  .0267 -.0070  .0065  .0018
O3   .1335 .1684 .3939            .0137  .0192  .0219  .0005  .0025 -.0008
O4   .1288    .5 .4009            .0079  .0308  .0225      0  .0007      0
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Bederite
Download hom/bederite.pdf
Galliski M A, Cooper M A, Hawthorne F C, Cerny P
Download am/vol84/AM84_1674.pdf
American Mineralogist 84 (1999) 1674-1679
Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina:
Description and crystal structure
_database_code_amcsd 0002333
12.559 12.834 11.714 90 90 90 Pcab
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1    .38715 .29998 .23044            .0093  .0071  .0061  .0002 -.0004 -.0008
P2    .09661 .44479 .25952            .0104  .0072  .0073 -.0002 -.0011  .0004
P3    .26392 .12462 .47847            .0137  .0070  .0069 -.0005 -.0001  .0000
Mn1   .14793 .20846 .23362 .51        .0119  .0087  .0128  .0009  .0013  .0020
Mg1   .14793 .20846 .23362 .31        .0119  .0087  .0128  .0009  .0013  .0020
Fe1   .14793 .20846 .23362 .16        .0119  .0087  .0128  .0009  .0013  .0020
Zn1   .14793 .20846 .23362 .02        .0119  .0087  .0128  .0009  .0013  .0020
Fe2   .33024 .04152 .22862 .78        .0093  .0068  .0062 -.0005  .0000 -.0004
Mg2   .33024 .04152 .22862 .13        .0093  .0068  .0062 -.0005  .0000 -.0004
Al2   .33024 .04152 .22862 .09        .0093  .0068  .0062 -.0005  .0000 -.0004
Mn3'   .0098  .2840  .4646     .0089
Mn3"  -.0036  .3062  .4655 .25 .0110
Mn3'"  .0247  .2644  .4611 .13 .0099
Na     .0090 -.0085 -.0162 .10 .0261
Ca     .0090 -.0085 -.0162 .03 .0261
Ca    .26053 .37624 .49935            .0139  .0098  .0088 -.0015  .0001  .0013
O1     .4925  .2729  .2894            .0119  .0157  .0117  .0025 -.0026 -.0004
O2     .4053  .3370  .1078            .0177  .0137  .0075  .0014  .0013  .0011
O3     .3171  .2010  .2272            .0137  .0085  .0165 -.0022 -.0008 -.0013
O4     .3301  .3849  .3012            .0120  .0114  .0108  .0003  .0010 -.0030
O5     .1637  .5455  .2561            .0156  .0075  .0127 -.0017 -.0002  .0003
O6     .1489  .3637  .1815            .0142  .0095  .0132  .0014  .0002 -.0031
O7     .0918  .4077  .3839            .0211  .0149  .0095 -.0051 -.0029  .0037
O8    -.0148  .4678  .2101            .0117  .0179  .0163  .0029 -.0029 -.0004
O9     .1891  .2041  .4213            .0205  .0097  .0110  .0032  .0002  .0010
O10    .3503  .1893  .5413            .0194  .0150  .0122 -.0070 -.0004 -.0021
O11    .1997  .0522  .5579            .0179  .0109  .0106 -.0032 -.0006  .0016
O12    .3227  .0493  .3971            .0235  .0156  .0096  .0065 -.0019 -.0016
O13   -.0279  .1184  .4910            .0213  .0283  .0148  .0046  .0010  .0062
H1      .003   .082   .557     .0539
H2      .002   .081   .425     .0539
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Agakhanovite-(Y)
 
Hawthorne F C, Abdu Y A, Ball N A, Cerny P, Kristiansen R
 
American Mineralogist 99 (2014) 2084-2088
Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the
Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure
Locality: Heftetjern pegmatite, Tordal, Norway
_database_code_amcsd 0020413
10.3476 10.3476 13.7610 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)
Y1      1/3    2/3 .23630 .2275  .0094  .0071  .0071  .0139 .00356       0       0
Yb1     1/3    2/3 .23630 .0025  .0094  .0071  .0071  .0139 .00356       0       0
Ca1     1/3    2/3 .23630   .27  .0094  .0071  .0071  .0139 .00356       0       0
Wat1    1/3    2/3  .0545   .23   .039   .044   .044   .031  .0218       0       0
Na1     1/3    2/3  .0545  .005   .039   .044   .044   .031  .0218       0       0
K         0      0    .25        .0198  .0187  .0187  .0220  .0093       0       0
Be1       0     .5    .25 .9767  .0091  .0091  .0092  .0088  .0045       0       0
Al1       0     .5    .25 .0233  .0091  .0091  .0092  .0088  .0045       0       0
Si1  .08107 .33803 .11267       .00862  .0082  .0106  .0072 .00484 -.00024 -.00127
O1    .0937  .3867      0        .0199  .0308  .0211  .0076  .0130       0       0
O2   .19548 .27738 .13342        .0181  .0173  .0247  .0193  .0158  -.0031  -.0049
O3   .11552 .47476 .18233        .0117  .0123  .0132  .0111  .0075   .0001  -.0031
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Beryl
Download hom/beryl.pdf
Hawthorne F C, Cerny P
Download cm/vol15/CM15_414.pdf
The Canadian Mineralogist 15 (1977) 414-421
The alkali-metal positions in Cs-Li beryl
_database_code_amcsd 0005142
9.212 9.212 9.236 90 90 120 P6/mcc
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .3892 .1189     0 .993       .0025  .0025  .0014  .0013      0      0
Be      .5     0   .25 .871       .0042  .0020  .0016  .0010      0      0
Li      .5     0   .25 .129       .0042  .0020  .0016  .0010      0      0
Al     2/3   1/3   .25            .0029  .0029  .0014 .00145      0      0
O1   .3048 .2352     0            .0053  .0043  .0039  .0032      0      0
O2   .4983 .1473 .1445            .0048  .0054  .0024  .0030 -.0016 -.0013
Na       0     0     0 .313  2.5
K        0     0     0 .033  2.5
Rb       0     0     0 .006  2.5
Ca       0     0     0 .003  2.5
Li       0     0     0 .049  2.5
Cs       0     0   .25 .134  2.5
Wat      0     0   .25  .66  2.5
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Milarite
Download hom/milarite.pdf
Cerny P, Hawthorne F C, Jarosewich E
Download cm/vol18/CM18_41.pdf
The Canadian Mineralogist 18 (1980) 41-57
Crystal chemistry of milarite
Note: sample Kings Mt.(31)
Locality: Kings Mt., North Carolina, USA
_database_code_amcsd 0005174
10.420 10.420 13.810 90 90 120 P6/mcc
atom     x     y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA    1/3   2/3    1/4      1.90  .0045  .0045  .0036  .0023      0      0
NaB    1/3   2/3      0 .038 1.91
KB     1/3   2/3      0 .030 1.91
WatB   1/3   2/3      0  .34 1.91
KC       0     0    1/4      1.48  .0044  .0044  .0021  .0022      0      0
SiT1 .0819 .3359 .11244      0.66  .0021  .0025  .0007  .0012 -.0001 -.0001
BeT2     0   1/2    1/4 .705 0.35  .0013  .0004  .0005  .0022      0      0
AlT2     0   1/2    1/4 .295 0.35  .0013  .0004  .0005  .0022      0      0
O1   .0951 .3828      0      1.46  .0071  .0047  .0008  .0033      0      0
O2   .1953 .2758  .1345       .37  .0039  .0062  .0018  .0038 -.0004 -.0007
O3   .1153 .4722  .1808       .90  .0030  .0028  .0011  .0015 -.0001 -.0004
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Milarite
Download hom/milarite.pdf
Cerny P, Hawthorne F C, Jarosewich E
Download cm/vol18/CM18_41.pdf
The Canadian Mineralogist 18 (1980) 41-57
Crystal chemistry of milarite
Note: sample Vezna(29a), radial fibrous
Locality: Vezna west, Czechoslovakia
_database_code_amcsd 0005175
10.428 10.428 13.675 90 90 120 P6/mcc
atom     x     y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA    1/3   2/3  .2646      1.30  .0027  .0027  .0030  .0013      0      0
NaB    1/3   2/3  .0225 .060 1.30
KB     1/3   2/3  .0225 .046 1.30
WatB   1/3   2/3  .0225  .23 1.30
KC       0     0    1/4      1.60  .0051  .0051  .0022  .0026      0      0
SiT1 .0792 .3349  .1141      0.93  .0033  .0037  .0008  .0019  .0000 -.0002
BeT2     0   1/2    1/4  .85 1.80  .0027  .0131  .0019  .0066      0      0
AlT2     0   1/2    1/4  .15 1.80  .0027  .0131  .0019  .0066      0      0
O1   .0908 .3810      0      1.80  .0100  .0065  .0004  .0050      0      0
O2   .1928 .2752  .1347      1.60  .0057  .0067  .0017  .0044 -.0009 -.0008
O3   .1131 .4730  .1807      1.20  .0042  .0034  .0014  .0017  .0000 -.0004
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Milarite
Download hom/milarite.pdf
Cerny P, Hawthorne F C, Jarosewich E
Download cm/vol18/CM18_41.pdf
The Canadian Mineralogist 18 (1980) 41-57
Crystal chemistry of milarite
Note: sample Vezna(29b), radial fibrous
Locality: Vezna west, Czechoslovakia
_database_code_amcsd 0005176
10.417 10.417 13.688 90 90 120 P6/mcc
atom     x     y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA    1/3   2/3  .2644      1.30  .0028  .0028  .0026  .0014      0      0
NaB    1/3   2/3  .0206 .060 1.30
KB     1/3   2/3  .0206 .046 1.30
WatB   1/3   2/3  .0206  .17 1.30
KC       0     0    1/4      1.90  .0072  .0072  .0014  .0036      0      0
SiT1 .0794 .3351  .1144      1.00  .0044  .0048  .0000  .0025  .0000 -.0004
BeT2     0   1/2    1/4  .85 2.50  .0055  .0167  .0018  .0083      0      0
AlT2     0   1/2    1/4  .15 2.50  .0055  .0167  .0018  .0083      0      0
O1   .0936 .3832      0      2.60  .0160  .0104 -.0004  .0076      0      0
O2   .1908 .2729  .1338      1.80  .0071  .0108  .0005  .0066 -.0005 -.0009
O3   .1136 .4741  .1797      1.30  .0050  .0053  .0008  .0029 -.0001 -.0007
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Bobfergusonite
Download hom/bobfergusonite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol24/CM24_605.pdf
The Canadian Mineralogist 24 (1986) 605-614
The crystal structure of bobfergusonite.
_database_code_amcsd 0005212
12.776 12.488 11.035 90 97.2 90 P2_1/n
atom      x      y       z occ  Uiso
MnM1 .13194 .23856 -.00190 .92 .0138
MnM2 .62989 .23753 -.00107 .91 .0137
MnM3 .29562 .14643  .72421 .82 .0113
FeM3 .29562 .14643  .72421 .06 .0113
AlM3 .29562 .14643  .72421 .12 .0113
MnM4 .79574 .14588  .72617 .82 .0125
FeM4 .79574 .14588  .72617 .06 .0125
AlM4 .79574 .14588  .72617 .12 .0125
FeM5 .46125 .16153  .27999 .48 .0108
AlM5 .46125 .16153  .27999 .34 .0108
FeM5 .46125 .16153  .27999 .04 .0108
MgM5 .46125 .16153  .27999 .09 .0108
ZnM5 .46125 .16153  .27999 .05 .0108
AlM6 .96067 .16220  .27950 .80 .0098
FeM6 .96067 .16220  .27950 .20 .0098
MnX1 .24944 .00103 -.00188 .81 .0280
CaX1 .24944 .00103 -.00188 .19 .0280
NaX2      0      0       0 .85 .0309
NaX3     .5      0       0 .81 .0307
NaX4  .3734  .0169   .4972 .59 .0444
NaX5  .8738  .0166   .5004 .58 .0377
P1    .3816  .2183   .0033     .0102
P2    .8826  .2152   .0067     .0105
P3    .2013  .1141   .2578     .0105
P4    .7041  .1134   .2598     .0109
P5    .0597  .0957   .7384     .0118
P6    .5588  .1000   .7400     .0122
O1    .2980  .2105   .5460     .0152
O2    .7979  .2081   .5458     .0159
O3    .4655  .2182   .4503     .0163
O4    .9637  .2141   .4457     .0129
O5    .3290  .3698   .4182     .0225
O6    .8267  .3666   .4151     .0215
O7    .4426  .3508   .6102     .0227
O8    .9444  .3475   .6048     .0243
O9    .1125  .1720   .3151     .0153
O10   .6180  .1743   .3182     .0172
O11   .1343  .1522   .6592     .0226
O12   .6357  .1544   .6613     .0227
O13   .1098  .4102   .3729     .0182
O14   .6116  .4133   .3713     .0195
O15   .1714  .4022   .6215     .0142
O16   .6709  .4005   .6197     .0156
O17   .3011  .1851   .2765     .0171
O18   .8056  .1819   .2753     .0161
O19   .4591  .1710   .7370     .0165
O20   .9596  .1642   .7351     .0101
O21   .2776  .5080   .1785     .0279
O22   .7773  .5072   .1757     .0264
O23   .4651  .4846   .8149     .0208
O24   .9717  .4900   .8150     .0247
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Foordite
Download hom/foordite.pdf
Ercit T S, Cerny P
Download cm/vol26/CM26_899.pdf
The Canadian Mineralogist 26 (1988) 899-903
The crystal structure of foordite
_database_code_amcsd 0005219
17.093 4.877 5.558 90 90.85 90 C2/c
atom      x       y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sn        0 .24046    .25  .0197  .0235  .0251      0  .0013      0
Nb   .33007 .25807 .32770  .0130  .0144  .0150  .0001 -.0008 -.0001
O1    .4269  .4201  .4013  .0138  .0197  .0250 -.0022 -.0020  .0005
O2    .3574  .0419  .0692  .0171  .0197  .0212  .0013  .0003 -.0022
O3    .2192  .0632  .3527  .0152  .0160  .0168 -.0012  .0001 -.0019
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Beusite
Download hom/beusite.pdf
Wise M A, Hawthorne F C, Cerny P
Download cm/vol28/CM28_141.pdf
The Canadian Mineralogist 28 (1990) 141-146
Crystal structure of Ca-rich beusite from the Yellowknife pegmatite field,
Northwest Territories
Locality: Yellowknife pegmatite field, Northwest Territories, Canada
_database_code_amcsd 0005239
8.797 11.758 6.170 90 99.31 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)
Ca1   .9495 .12423 .8267     .0110  .0132  .0094  .0102 -.0004  .0009 -.0011
Fe2  .71181 .07841 .3268 .90 .0131  .0132  .0187  .0073  .0037  .0013  .0005
Ca2  .71181 .07841 .3268 .10 .0131  .0132  .0187  .0073  .0037  .0013  .0005
Mn3   .3582 .19006 .1334 .92 .0113  .0124  .0125  .0089  .0025  .0013  .0003
Ca3   .3582 .19006 .1334 .08 .0113  .0124  .0125  .0089  .0025  .0013  .0003
P1    .0929  .1334 .3964     .0084  .0088  .0086  .0079 -.0005  .0021  .0008
P2    .5994  .0899 .8070     .0084  .0082  .0098  .0070  .0005  .0011 -.0002
O1    .0832  .0707 .1791     .0120  .0156  .0113  .0093  .0016 -.0001 -.0012
O2    .4704  .1748 .8316     .0120  .0083  .0163  .0135  .0031  .0052  .0028
O3    .9361  .1856 .4281     .0120  .0108  .0125  .0140  .0016  .0031  .0007
O4    .6855  .1283 .6224     .0130  .0139  .0141  .0106 -.0025  .0014  .0003
O5    .2061  .2332 .3841     .0140  .0171  .0151  .0108 -.0090  .0044 -.0023
O6    .7241  .0923 .0133     .0140  .0105  .0208  .0103  .0011 -.0010  .0002
O7    .1459  .0587 .5971     .0120  .0122  .0139  .0102  .0036  .0013  .0030
O8    .5334 -.0316 .7634     .0120  .0100  .0128  .0129  .0001  .0022 -.0024
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Beryl
Download hom/beryl.pdf
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P
Download cm/vol29/CM29_271.pdf
The Canadian Mineralogist 29 (1991) 271-285
The incorporation of alkalis in beryl: multi-nuclear MAS NMR
and crystal-structure study
Sample: SHEE-1-6
Locality: SHEE-1 pegmatite dike, eastern end of Shatford Lake, southeastern Manitoba, Canada
_database_code_amcsd 0005258
9.206 9.206 9.185 90 90 120 P6/mcc
atom     x     y     z occ  Uiso
Si   .3875 .1158     0     .0029
Be     1/2     0   1/4     .0057
Al     2/3   1/3   1/4 .98 .0046
Fe     2/3   1/3   1/4 .02 .0046
O1   .3095 .2362     0     .0080
O2   .4987 .1454 .1454     .0053
Na       0     0     0 .03 .0150
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Beryl
Download hom/beryl.pdf
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P
Download cm/vol29/CM29_271.pdf
The Canadian Mineralogist 29 (1991) 271-285
The incorporation of alkalis in beryl: multi-nuclear MAS NMR
and crystal-structure study
Sample: EEE-10
Locality: Bernic Lake, Manitoba, Canada
_database_code_amcsd 0005259
9.202 9.202 9.207 90 90 120 P6/mcc
atom     x     y     z occ  Uiso
Si   .3888 .1181     0     .0051
Be     1/2     0   1/4 .93 .0094
Li     1/2     0   1/4 .07 .0094
Al     2/3   1/3   1/4     .0054
O1   .3064 .2354     0     .0119
O2   .4984 .1468 .1448     .0102
Na       0     0     0 .23 .0129
Li       0     0     0 .33 .0129
Cs       0     0   1/4 .08 .0484
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Beryl
Download hom/beryl.pdf
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P
Download cm/vol29/CM29_271.pdf
The Canadian Mineralogist 29 (1991) 271-285
The incorporation of alkalis in beryl: multi-nuclear MAS NMR
and crystal-structure study
Sample: BLM503
Locality: Bernic Lake, Manitoba, Canada
_database_code_amcsd 0005260
9.210 9.210 9.230 90 90 120 P6/mcc
atom     x     y     z occ  Uiso
Si   .3890 .1185     0     .0042
Be     1/2     0   1/4 .90 .0088
Li     1/2     0   1/4 .10 .0088
Al     2/3   1/3   1/4     .0052
O1   .3060 .2354     0     .0117
O2   .4982 .1469 .1448     .0103
Na       0     0     0 .19 .0217
Li       0     0     0 .32 .0217
Cs       0     0   1/4 .11 .0367
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Beryl
Download hom/beryl.pdf
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P
Download cm/vol29/CM29_271.pdf
The Canadian Mineralogist 29 (1991) 271-285
The incorporation of alkalis in beryl: multi-nuclear MAS NMR
and crystal-structure study
Sample: T-24
Locality: Bernic Lake, Manitoba, Canada
_database_code_amcsd 0005261
9.228 9.228 9.240 90 90 120 P6/mcc
atom     x     y     z occ  Uiso
Si   .3893 .1192     0     .0070
Be     1/2     0   1/4 .85 .0122
Li     1/2     0   1/4 .15 .0122
Al     2/3   1/3   1/4     .0054
O1   .3043 .2349     0     .0147
O2   .4985 .1477 .1466     .0145
Na       0     0     0 .28 .0251
Li       0     0     0 .01 .0251
Cs       0     0   1/4 .15 .0389
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: I
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005270
8.603 13.036 7.174 90 116.03 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2869      0  .1383      .0203  .0393  .0296      0  .0100      0
SiT1 .0100 .18584  .2239 .75  .0121  .0121  .0121  .0000  .0053  .0000
AlT1 .0100 .18584  .2239 .25  .0121  .0121  .0121  .0000  .0053  .0000
SiT2 .7108 .11828  .3442 .75  .0119  .0119  .0119  .0000  .0052  .0000
AlT2 .7108 .11828  .3442 .25  .0119  .0119  .0119  .0000  .0052  .0000
OA1      0  .1476      0      .0316  .0211  .0163      0  .0136      0
OA2  .6396      0  .2839      .0189  .0180  .0232      0  .0049      0
OB   .8301  .1486  .2264      .0225  .0332  .0263 -.0058  .0147  .0003
OC   .0361  .3103  .2572      .0192  .0203  .0214 -.0025  .0093 -.0018
OD   .1782  .1272  .4026      .0227  .0236  .0160  .0027  .0053  .0013
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: II
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005271
8.608 13.041 7.180 90 115.98 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2868      0  .1383      .0231  .0351  .0305      0  .0106      0
SiT1 .0100 .18569  .2237 .73  .0127  .0127  .0127  .0000  .0056  .0000
AlT1 .0100 .18569  .2237 .27  .0127  .0127  .0127  .0000  .0056  .0000
SiT2 .7108 .11824  .3442 .77  .0122  .0122  .0122  .0000  .0054  .0000
AlT2 .7108 .11824  .3442 .23  .0122  .0122  .0122  .0000  .0054  .0000
OA1      0  .1475      0      .0352  .0185  .0173      0  .0146      0
OA2  .6393      0  .2841      .0196  .0148  .0245      0  .0037      0
OB   .8301  .1482  .2268      .0257  .0291  .0261 -.0038  .0147  .0011
OC   .0363  .3107  .2579      .0229  .0143  .0236 -.0021  .0109 -.0023
OD   .1785  .1272  .4036      .0257  .0192  .0173  .0019  .0078  .0011
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: III
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005272
8.611 13.046 7.175 90 116.01 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2865      0  .1382      .0207  .0388  .0298      0  .0093      0
SiT1 .0100 .18572  .2238 .73  .0129  .0129  .0129  .0000  .0057  .0000
AlT1 .0100 .18572  .2238 .27  .0129  .0129  .0129  .0000  .0057  .0000
SiT2 .7107 .11825  .3442 .77  .0127  .0127  .0127  .0000  .0056  .0000
AlT2 .7107 .11825  .3442 .23  .0127  .0127  .0127  .0000  .0056  .0000
OA1      0  .1474      0      .0298  .0228  .0171      0  .0114      0
OA2  .6398      0  .2850      .0192  .0176  .0235      0  .0044      0
OB   .8299  .1482  .2265      .0218  .0351  .0259 -.0043  .0135  .0001
OC   .0362  .3109  .2576      .0193  .0199  .0219 -.0028  .0086 -.0029
OD   .1788  .1268  .4035      .0233  .0231  .0168  .0023  .0051  .0012
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: IV
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005273
8.606 13.017 7.185 90 115.97 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2864      0  .1384      .0201  .0351  .0288      0  .0093      0
SiT1 .0098 .18558  .2239 .70  .0118  .0118  .0118  .0000  .0052      0
AlT1 .0098 .18558  .2239 .30  .0118  .0118  .0118  .0000  .0000  .0000
SiT2 .7106 .11816  .3444 .80  .0110  .0110  .0110  .0000  .0048  .0000
AlT2 .7106 .11816  .3444 .20  .0110  .0110  .0110  .0000  .0048  .0000
OA1      0  .1470      0      .0300  .0181  .01183     0  .0132      0
OA2  .6392      0  .2844      .0184  .0149  .0241      0  .0042      0
OB   .8293  .1479  .2267      .0224  .0318  .0236 -.0032  .0138  .0011
OC   .0362  .3112  .2581      .0198  .0168  .0212 -.0028  .0093 -.0026
OD   .1788  .1268  .4046      .0224  .0213  .0136  .0022  .0044  .0014
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Wodginite
Download hom/wodginite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol30/CM30_597.pdf
The Canadian Mineralogist 30 (1992) 597-611
The wodginite group. I. Structural crystallography
Sample: CX-1, partially ordered
_database_code_amcsd 0005276
9.500 11.465 5.139 90 90.51 90 C2/c
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
LiA      0 .6637   .25 .06  .0247  .0219  .0261      0  .0038      0
MnA      0 .6637   .25 .47  .0247  .0219  .0261      0  .0038      0
FeA      0 .6637   .25 .16  .0247  .0219  .0261      0  .0038      0
SnA      0 .6637   .25 .07  .0247  .0219  .0261      0  .0038      0
NbA      0 .6637   .25 .04  .0247  .0219  .0261      0  .0038      0
TaA      0 .6637   .25 .20  .0247  .0219  .0261      0  .0038      0
LiB      0 .1681   .25 .01  .0240  .0232  .0220      0  .0041      0
MnB      0 .1681   .25 .07  .0240  .0232  .0220      0  .0041      0
FeB      0 .1681   .25 .16  .0240  .0232  .0220      0  .0041      0
SnB      0 .1681   .25 .30  .0240  .0232  .0220      0  .0041      0
ZrB      0 .1681   .25 .05  .0240  .0232  .0220      0  .0041      0
NbB      0 .1681   .25 .03  .0240  .0232  .0220      0  .0041      0
TaB      0 .1681   .25 .38  .0240  .0232  .0220      0  .0041      0
LiC  .2493 .4146 .2497 .01  .0240  .0226  .0195 -.0007  .0040  .0001
MnC  .2493 .4146 .2497 .07  .0240  .0226  .0195 -.0007  .0040  .0001
FeC  .2493 .4146 .2497 .04  .0240  .0226  .0195 -.0007  .0040  .0001
SnC  .2493 .4146 .2497 .05  .0240  .0226  .0195 -.0007  .0040  .0001
ZrC  .2493 .4146 .2497 .01  .0240  .0226  .0195 -.0007  .0040  .0001
NbC  .2493 .4146 .2497 .14  .0240  .0226  .0195 -.0007  .0040  .0001
TaC  .2493 .4146 .2497 .68  .0240  .0226  .0195 -.0007  .0040  .0001
O1    .137  .056  .075      .0542  .0299  .0360 -.0011  .0274 -.0050
O2    .140  .444  .574      .0350  .0282  .0260  .0078 -.0083 -.0124
O3    .116  .304  .097      .0241  .0225  .0285  .0104 -.0020 -.0033
O4    .114  .186  .585      .0297  .0337  .0361  .0026  .0025 -.0079
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Wodginite
Download hom/wodginite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol30/CM30_597.pdf
The Canadian Mineralogist 30 (1992) 597-611
The wodginite group. I. Structural crystallography
Sample: A-17, ferroan
_database_code_amcsd 0005277
9.460 11.421 5.119 90 90.40 90 C2/c
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
LiA      0 .6634   .25 .01  .0179  .0202  .0197      0  .0004      0
MnA      0 .6634   .25 .41  .0179  .0202  .0197      0  .0004      0
FeA      0 .6634   .25 .33  .0179  .0202  .0197      0  .0004      0
SnA      0 .6634   .25 .04  .0179  .0202  .0197      0  .0004      0
TiA      0 .6634   .25 .02  .0179  .0202  .0197      0  .0004      0
NbA      0 .6634   .25 .03  .0179  .0202  .0197      0  .0004      0
TaA      0 .6634   .25 .16  .0179  .0202  .0197      0  .0004      0
MnB      0 .1680   .25 .05  .0157  .0161  .0172      0  .0008      0
FeB      0 .1680   .25 .14  .0157  .0161  .0172      0  .0008      0
SnB      0 .1680   .25 .33  .0157  .0161  .0172      0  .0008      0
TiB      0 .1680   .25 .14  .0157  .0161  .0172      0  .0008      0
NbB      0 .1680   .25 .03  .0157  .0161  .0172      0  .0008      0
TaB      0 .1680   .25 .31  .0157  .0161  .0172      0  .0008      0
MnC  .2488 .4143 .2493 .04  .0192  .0200  .0201 -.0005  .0002      0
FeC  .2488 .4143 .2493 .05  .0192  .0200  .0201 -.0005  .0002      0
SnC  .2488 .4143 .2493 .04  .0192  .0200  .0201 -.0005  .0002      0
TiC  .2488 .4143 .2493 .02  .0192  .0200  .0201 -.0005  .0002      0
NbC  .2488 .4143 .2493 .16  .0192  .0200  .0201 -.0005  .0002      0
TaC  .2488 .4143 .2493 .69  .0192  .0200  .0201 -.0005  .0002      0
O1    .133  .056  .082      .0293  .0250  .0287 -.0029  .0031  .0053
O2    .143  .446  .571      .0271  .0249  .0225  .0031 -.0066 -.0026
O3    .120  .305  .098      .0285  .0189  .0273  .0022 -.0028 -.0024
O4    .115  .185  .583      .0220  .0254  .0301  .0047      0 -.0004
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Wodginite
Download hom/wodginite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol30/CM30_597.pdf
The Canadian Mineralogist 30 (1992) 597-611
The wodginite group. I. Structural crystallography
Sample: A-17h, ferroan
Note: heated
_database_code_amcsd 0005278
9.450 11.442 5.083 90 91.045 90 C2/c
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
LiA      0 .6601   .25 .01  .0176  .0193  .0247      0  .0010      0
MnA      0 .6601   .25 .54  .0176  .0193  .0247      0  .0010      0
FeA      0 .6601   .25 .42  .0176  .0193  .0247      0  .0010      0
TaA      0 .6601   .25 .01  .0176  .0193  .0247      0  .0010      0
FeB      0 .1687   .25 .14  .0114  .0112  .0187      0  .0012      0
SnB      0 .1687   .25 .43  .0114  .0112  .0187      0  .0012      0
TiB      0 .1687   .25 .19  .0114  .0112  .0187      0  .0012      0
TaB      0 .1687   .25 .24  .0114  .0112  .0187      0  .0012      0
NbC  .2488 .4133 .2480 .19  .0181  .0181  .0239 -.0005  .0002  .0001
TaC  .2488 .4133 .2480 .81  .0181  .0181  .0239 -.0005  .0002  .0001
O1    .135  .058  .080      .0263  .0189  .0394 -.0019  .0076  .0017
O2    .146  .449  .563      .0233  .0199  .0280  .0025  .0002 -.0013
O3    .121  .304  .105      .0241  .0146  .0278 -.0013  .0030 -.0011
O4    .114  .184  .584      .0239  .0222  .0262  .0039  .0036 -.0039
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Lithiowodginite
Download hom/lithiowodginite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol30/CM30_597.pdf
The Canadian Mineralogist 30 (1992) 597-611
The wodginite group. I. Structural crystallography
Sample: TSE-76
_database_code_amcsd 0005279
9.4536 11.4977 5.0775 90 90.51 90 C2/c
atom     x     y     z occ Biso
LiA      0  .662   .25 .55  1.0
MnA      0  .662   .25 .45  1.0
FeB      0 .1699   .25 .01  1.0
SnB      0 .1699   .25 .21  1.0
TaB      0 .1699   .25 .78  1.0
NbC  .2451 .4122  .248 .13  1.0
TaC  .2451 .4122  .248 .87  1.0
O1    .147  .062  .090      1.0
O2    .131  .456  .543      1.0
O3    .116  .322  .074      1.0
O4    .119  .180  .584      1.0
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Alumotantite
Download hom/alumotantite.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol30/CM30_653.pdf
The Canadian Mineralogist 30 (1992) 653-662
The crystal structure of alumotantite: Its relation to
the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds
_database_code_amcsd 0005280
4.473 11.308 4.775 90 90 90 Pbcn
atom    x      y    z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ta      0 .16817  .25       .0062  .0004  .0055      0 -.0002      0
Al      0  .4346  .25  .44
O1   .222   .312 .086       .0045  .0013  .0063 -.0008 -.0003 -.0002
O2   .266   .058 .073       .0132  .0002  .0090  .0000 -.0098  .0000
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Simpsonite
Download hom/simpsonite.pdf
Ercit T S, Cerny P, Hawthorne F C
Download cm/vol30/CM30_663.pdf
The Canadian Mineralogist 30 (1992) 663-671
The crystal chemistry of simpsonite
_database_code_amcsd 0005281
7.381 7.381 4.516 90 90 120 P3
atom     x     y    z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta   .1118 .3910    0  .0085  .0088  .0119  .0042  .0009  .0003
Al1   .423  .303 .496  .0120  .0149  .0139  .0059  .0014  .0007
Al2      0     0 .499  .0087  .0087  .0159      0      0      0
O1    .246  .062 .730  .0077  .0125  .0148 -.0002  .0020  .0007
O2    .392  .472 .777  .0261  .0464  .0154  .0295 -.0055 -.0070
O3    .192  .238 .274  .0231  .0146  .0111  .0102 -.0067 -.0024
O4    .482  .111 .265  .0112  .0239  .0210 -.0003  .0063  .0046
O5     1/3   2/3 .194  .0095  .0095  .0053  .0048      0      0
OH6    2/3   1/3 .691  .0354  .0354  .0098      0      0  .0177
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Hydropyrochlore
Download hom/hydropyrochlore.pdf
Ercit T S, Hawthorne F C, Cerny P
Download cm/vol32/CM32_415.pdf
The Canadian Mineralogist 32 (1994) 415-420
The structural chemistry of kalipyrochlore, a "hydropyrochlore"
_database_code_amcsd 0005370
10.604 10.604 10.604 90 90 90 *Fd3m
.125 .125 .125
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb        0     0     0 .90 .0259  .0259  .0259  .0259 -.0065 -.0065 -.0065
Ti        0     0     0 .10 .0259  .0259  .0259  .0259 -.0065 -.0065 -.0065
SrA      .5    .5    .5 .05 .0042
CaA      .5    .5    .5 .01 .0042
WatA' .5100 .5100 .5100  .5 .0042
O     .3120  .125  .125 .68 .0159
OH    .3120  .125  .125 .32 .0159
Wat'   .398  .398  .331 .58 .0500
K'     .398  .398  .331 .10 .0500
Wat"   .407  .407  .407 .58 .0500
K"     .407  .407  .407 .10 .0500
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Boromuscovite
Download hom/boromuscovite.pdf
Liang J, Hawthorne F C, Novak M, Cerny P
Download cm/vol33/CM33_859.pdf
The Canadian Mineralogist 33 (1995) 859-865
Crystal-structure refinement of boromuscovite polytypes using a coupled
Rietveld-static-structure energy-minimization method
Sample: 2M1 polytype
Locality: Recice, Czech Republic
_database_code_amcsd 0005445
5.090 8.822 19.819 90 95.62 90 C2/c
atom    x    y      z occ Biso
Al    .25 .079 -.0002 .96  .47
SiT1 .442 .254  .1351 .78  .12
BT1  .442 .254  .1351 .22  .12
SiT2 .045 .426  .3640 .72  .17
BT2  .045 .426  .3640 .28  .17
K       0 .103    .25 .41  .26
O    .039 .072  .4541      .35
O1   .385 .248  .0569      .37
O2   .043 .438  .4466      .29
O3   .419 .090  .1655      .38
O4   .229 .361  .1636      .68
O5   .270 .314  .3466      .32
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Boromuscovite
Download hom/boromuscovite.pdf
Liang J, Hawthorne F C, Novak M, Cerny P
Download cm/vol33/CM33_859.pdf
The Canadian Mineralogist 33 (1995) 859-865
Crystal-structure refinement of boromuscovite polytypes using a coupled
Rietveld-static-structure energy-minimization method
Sample: 1M polytype
Locality: Recice, Czech Republic
_database_code_amcsd 0005446
5.102 8.788 10.076 90 101.23 90 C2/m
atom    x    y    z occ Biso
Al      0 .666    0 .41  .62
SiT  .437 .674 .272 .75  .12
BT   .437 .674 .272 .25  .12
K      .5    0   .5 .20  .26
OH   .433    0 .100      .35
O1   .347 .715 .116      .37
O2   .192 .726  .33      .68
O3   .520   .5 .287      .38
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Calciotantite
Download hom/calciotantite.pdf
Cooper M A, Hawthorne F C, Cerny P
Download cm/vol37/CM37_1289.pdf
The Canadian Mineralogist 37 (1999) 1289-1294
Ta-Nb order in the crystal structure of niobium-rich calciotantite
_database_code_amcsd 0005632
6.2261 6.2261 12.280 90 90 120 P6_322
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1  .35938 .35938   1/2 .698 .0076 .0090  .0090  .0070  .0063  -.0001  .0001
Nb1  .35938 .35938   1/2 .302 .0076 .0090  .0090  .0070  .0063  -.0001  .0001
Ta2     1/3    2/3   1/4 .727 .0082 .0091  .0091  .0062  .0046       0      0
Nb2     1/3    2/3   1/4 .273 .0082 .0091  .0091  .0062  .0046       0      0
Ca      2/3    1/3   1/4      .0065 .0069  .0069  .0058  .0035       0      0
O1    .3757  .4304 .3440      .0097 .0099  .0121  .0075  .0057   .0010  .0025
O2    .7532  .7532   1/2      .0131 .0154  .0154  .0142  .0120   .0006 -.0006
O3      1/3    2/3 .5339      .0092 .0075  .0075  .0127  .0037       0      0
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Bismutotantalite
Download hom/bismutotantalite.pdf
Galliski M A, Marquez-Zavalia M F, Cooper M A, Cerny P, Hawthorne F C
Download cm/vol39/CM39_103.pdf
The Canadian Mineralogist 39 (2001) 103-110
Bismutotantalite from northwestern Argentina: Description and
crystal structure
Sample: [Bi] phase
Locality: northwestern Argentina
_database_code_amcsd 0005704
4.9652 11.7831 5.6462 90 90 90 Pcnn
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi   .22147    1/2    1/4 .98 .0101  .0083  .0112  .0108      0      0  .0011
Sb   .22147    1/2    1/4 .02 .0101  .0083  .0112  .0108      0      0  .0011
Ta      1/4    3/4 .64078 .89 .0068  .0066  .0068  .0069 -.0001      0      0
Nb      1/4    3/4 .64078 .11 .0068  .0066  .0068  .0069 -.0001      0      0
O(1) .49543 .69489 .36094     .0139  .0136  .0138  .0142 -.0006  .0040 -.0007
O(2) .08657 .59742 .58723     .0110  .0143  .0082  .0105 -.0040  .0035  .0005
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Bismutotantalite
Download hom/bismutotantalite.pdf
Galliski M A, Marquez-Zavalia M F, Cooper M A, Cerny P, Hawthorne F C
Download cm/vol39/CM39_103.pdf
The Canadian Mineralogist 39 (2001) 103-110
Bismutotantalite from northwestern Argentina: Description and
crystal structure
Sample: [Bi,Sb] phase
Locality: northwestern Argentina
_database_code_amcsd 0005705
4.9471 11.7878 5.6048 90 90 90 Pcnn
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi   .21854    1/2    1/4 .68 .0084  .0079  .0078  .0096      0      0  .0016
Sb   .21854    1/2    1/4 .32 .0084  .0079  .0078  .0096      0      0  .0016
Ta      1/4    3/4 .63557 .89 .0035  .0016  .0043  .0048  .0002      0      0
Nb      1/4    3/4 .63557 .11 .0035  .0016  .0043  .0048  .0002      0      0
O(1) .49292 .69680 .35839     .0098  .0093  .0091  .0110 -.0050  .0044  .0006
O(2) .08608 .59692 .58587     .0081  .0070  .0075  .0099 -.0010  .0043 -.0015
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Bobfergusonite
Download hom/bobfergusonite.pdf
Tait K T, Hawthorne F C, Cerny P, Galliski M A
Download cm/vol42/CM42_705.pdf
The Canadian Mineralogist 42 (2004) 705-716
Bobfergusonite from the Nancy Pegmatite, San Luis Range, Argentina:
Crystal-structure refinement and chemical composition
Locality: Nancy Pegmatite, San Luis Range, Argentina
_database_code_amcsd 0005932
12.796 12.465 11.001 90 97.39 90 P2_1/n
atom        x      y       z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnM1   .13420 .23941 -.00222     .01269  .0102  .0156  .0118   .0004 -.00031  .00211
MnM2   .63042 .23867  .00089 .89 .01315  .0113  .0149  .0124   .0015 -.00193 -.00105
CaM2   .63042 .23867  .00089 .11 .01315  .0113  .0149  .0124   .0015 -.00193 -.00105
Fe2+M3 .29672 .14728  .72252 .38 .01049  .0102  .0099  .0108 -.00120 -.00093  .00094
MnM3   .29672 .14728  .72252 .32 .01049  .0102  .0099  .0108 -.00120 -.00093  .00094
Fe3+M3 .29672 .14728  .72252 .24 .01049  .0102  .0099  .0108 -.00120 -.00093  .00094
MgM3   .29672 .14728  .72252 .06 .01049  .0102  .0099  .0108 -.00120 -.00093  .00094
Fe2+M4 .79843 .14656  .72557 .53 .01102  .0106  .0101  .0120   .0001  -.0003  .00060
Fe3+M4 .79843 .14656  .72557 .25 .01102  .0106  .0101  .0120   .0001  -.0003  .00060
MgM4   .79843 .14656  .72557 .22 .01102  .0106  .0101  .0120   .0001  -.0003  .00060
Fe2+M5 .46185 .16300  .28185 .28 .01071  .0102  .0126  .0090   .0010   .0002  -.0020
Fe3+M5 .46185 .16300  .28185 .42 .01071  .0102  .0126  .0090   .0010   .0002  -.0020
MgM5   .46185 .16300  .28185 .30 .01071  .0102  .0126  .0090   .0010   .0002  -.0020
AlM6   .96010 .16394  .28144 .94  .0084  .0078  .0092  .0081   .0004   .0009  -.0006
Fe3+M6 .96010 .16394  .28144 .06  .0084  .0078  .0092  .0081   .0004   .0009  -.0006
MnX1   .24917 .00113 -.00326     .02130  .0354 .00972  .0228 -.00170  .01923 -.00134
NaX2        0      0       0 .92  .0254  .0329  .0137  .0340   .0016   .0211   .0028
NaX3       .5      0       0 .88  .0306  .0380  .0143  .0462   .0021   .0304  -.0001
NaX4    .3713  .0174  .49650 .57  .0352   .060  .0295  .0199   .0008   .0122  -.0015
NaX5    .8762  .0160  .50243 .53  .0359   .060  .0296  .0211   .0048   .0154  -.0001
P1     .38358 .21696  .00290     .00802  .0078  .0086  .0078  -.0002   .0015  -.0001
P2     .88391 .21205  .00852     .00757  .0074  .0081  .0075   .0002   .0017   .0004
P3     .20062 .11529  .25736     .00783  .0075  .0080  .0081   .0002   .0014  -.0001
P4     .70687 .11406  .26218     .00805  .0077  .0075  .0092   .0006   .0021   .0001
P5     .06085 .09455  .73786     .00796  .0070  .0088  .0081   .0001   .0012   .0004
P6     .56023 .10271  .74000     .00857  .0079  .0082  .0098  -.0007   .0019   .0002
O1     .29738 .21362  .54446      .0117  .0120  .0127  .0108  -.0023   .0032   .0000
O2     .79913 .20976  .54512      .0097  .0067  .0129  .0099  -.0021   .0026  -.0002
O3     .46853 .22141  .45476      .0100  .0102  .0104  .0101   .0017   .0046  -.0010
O4     .96558 .21419  .44520      .0089  .0071  .0120  .0077   .0022   .0013  -.0004
O5     .33192 .37396  .41874      .0129  .0166  .0108  .0117   .0033   .0028   .0015
O6     .82928 .36872  .41534      .0135  .0162  .0121  .0125   .0089   .0034   .0008
O7     .44212 .35398  .61396      .0121  .0168  .0111  .0087  -.0043   .0027  -.0013
O8     .94709 .34870  .60403      .0137  .0194  .0123  .0092  -.0072   .0010  -.0016
O9     .11059 .17153  .31505      .0092  .0084  .0088  .0109   .0006   .0035  -.0010
O10    .62192 .17581  .32160      .0112  .0123  .0094  .0122   .0010   .0030  -.0006
O11    .13403 .15220  .65739      .0131  .0106  .0122  .0181   .0023   .0083   .0045
O12    .63820 .15597  .66157      .0131  .0133  .0106  .0168   .0004   .0073   .0012
O13    .11172 .40832  .37427      .0129  .0136  .0131  .0112  -.0001  -.0016  -.0013
O14    .61316 .41262  .37201      .0127  .0138  .0138  .0092  -.0004  -.0033  -.0013
O15    .17331 .39990  .62261      .0112  .0125  .0123  .0088   .0006   .0015   .0022
O16    .67093 .39784  .61741      .0111  .0132  .0119  .0078  -.0006   .0001   .0012
O17    .29979 .18730  .27910      .0114  .0086  .0149  .0102  -.0025  -.0004  -.0018
O18    .80896 .18240  .27782      .0101  .0098  .0106  .0099  -.0012   .0016  -.0005
O19    .46212 .17609  .73756      .0106  .0088  .0116  .0118   .0012   .0022   .0005
O20    .95903 .16093  .73393      .0125  .0106  .0131  .0140   .0022   .0017   .0011
O21    .27858 .50788  .18067      .0168  .0176  .0110  .0221  -.0058   .0041  -.0065
O22    .77610 .50661  .17456      .0157  .0168  .0102  .0209  -.0030   .0057  -.0026
O23    .46455 .48170  .81566      .0120  .0159  .0093  .0105   .0024  -.0001  -.0011
O24    .97240 .49340  .81578      .0158  .0165  .0109  .0200   .0045   .0023   .0034
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Oftedalite
 
Cooper M A, Hawthorne F C, Ball N A, Cerny P, Kristiansen R
Download cm/vol44/CM44_943.pdf
The Canadian Mineralogist 44 (2006) 943-949
Oftedalite, (Sc,Ca,Mn2+)2 K (Be,Al)3 Si12 O30, a new member of the milarite
group from the Heftetjern pegmatite, Tordal, Norway: description and crystal
structure
Locality: Heftetjern pegmatite, Tordal, Norway
_database_code_amcsd 0006096
10.097 10.097 13.991 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)
KC        0     0    .25      .0204  .0175  .0175   .026  .0087      0      0
ScA     1/3   2/3    .25  .42 .0090  .0070  .0070  .0131  .0035      0      0
CaA     1/3   2/3    .25 .515 .0090  .0070  .0070  .0131  .0035      0      0
MnA     1/3   2/3    .25 .045 .0090  .0070  .0070  .0131  .0035      0      0
YA      1/3   2/3    .25 .005 .0090  .0070  .0070  .0131  .0035      0      0
Fe2+A   1/3   2/3    .25 .015 .0090  .0070  .0070  .0131  .0035      0      0
BeT2      0    .5    .25 .953  .009   .010   .009   .008   .005      0      0
AlT2      0    .5    .25 .047  .009   .010   .009   .008   .005      0      0
SiT1  .0884 .3466 .10937      .0076  .0058  .0057  .0110  .0027 -.0011 -.0024
O1    .1044 .4005      0       .014   .021   .017   .005   .011      0      0
O2    .2030 .2818  .1300       .022   .023   .028   .028   .023  -.003  -.002
O3    .1216 .4817  .1816       .016   .023   .013   .015   .012  -.001  -.004
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Ercitite
 
Cooper M A, Hawthorne F C, Cerny P
Download cm/vol47/CM47_173.pdf
The Canadian Mineralogist 47 (2009) 173-180
The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2],
and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2]
Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada
_database_code_amcsd 0006278
6.2499 8.7479 19.9554 90 90 90 Cmca
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5 .3132 .34717 .89 .0205  .0183  .0275  .0155      0      0  .0045
Ca      .5 .3132 .34717 .04 .0205  .0183  .0275  .0155      0      0  .0045
Mn1    .25   .25     .5 .53 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Fe1    .25   .25     .5 .43 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Al1    .25   .25     .5 .01 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Mn2    .75  .560    .25 .07  .029   .034   .033   .018      0   .004      0
P       .5 .4767 .09528     .0093  .0102  .0085  .0093      0      0 -.0009
O1      .5 .6282  .0540     .0154   .025   .013   .009      0      0   .001
OH2     .5 .3673  .5267     .0093   .009   .008   .011      0      0   .001
O3      .5 .5198  .1688     .0184   .022   .026   .007      0      0  -.002
O4   .2976 .3845 .07732     .0119   .008  .0156  .0117  .0003  .0003 -.0030
O5w    .75 .3280    .25     .0344   .018   .063   .022      0  -.002      0
O6w     .5 .5921  .3326     .0235   .023   .026   .022      0      0  -.001
H1    .648 .3936   .226        .1
H2   .6272  .650   .319        .1
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Manitobaite
 
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
 
The Canadian Mineralogist 49 (2011) 1221-1242
The crystal structure and crystal chemistry of manitobaite,
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
Note: green sample
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018618
13.4517 12.5266 26.6765 90 101.582 90 Pc
atom        x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1    .27507  .48754  .53463     .0110  .0090  .0096  .0142 -.0008  .0014  .0008
Mn2    .08521  .51473  .23568     .0098  .0144  .0092  .0056 -.0009  .0018  .0009
Mn3    .38701  .01272  .43005     .0086  .0101  .0059  .0095  .0014  .0008  .0007
Mn4    .04125  .25301 -.20979     .0203  .0186  .0128  .0319 -.0008  .0111 -.0010
Mn5    .22275  .24635  .57565     .0093  .0030  .0043  .0222 -.0008  .0064  .0007
Mn6    .87662  .48637 -.06323     .0097  .0084  .0115  .0091  .0000  .0014  .0005
Mn7    .43438  .24765  .38375     .0105  .0102  .0051  .0182 -.0017  .0078 -.0027
Mn8    .82869  .25261 -.01776     .0144  .0100  .0104  .0236  .0000  .0059 -.0005
Mn9    .17913 -.01368  .13076     .0104  .0115  .0097  .0095  .0013  .0012 -.0017
Mn10  -.01129 -.01214  .33218     .0077  .0101  .0094  .0040 -.0017  .0020 -.0009
Fe1    .19871  .39896  .34672     .0059  .0072  .0054  .0053  .0012  .0019  .0013
Fe2    .59775  .39878 -.05414     .0081  .0086  .0056  .0096 -.0003  .0010  .0001
Fe3    .99429  .60248  .04841     .0085  .0082  .0080  .0085  .0032  .0001 -.0017
Fe4    .49414  .09107  .04032     .0111  .0095  .0158  .0070 -.0009 -.0007 -.0001
Fe5    .77060  .40985  .32664     .0077  .0085  .0060  .0094 -.0001  .0038  .0010
Fe6    .06581  .10090  .02103     .0111  .0116  .0098  .0113 -.0018  .0010 -.0018
Fe7    .26967  .10208 -.18088     .0095  .0096  .0086  .0102  .0027  .0020 -.0012
Fe8    .66696 -.10120 -.07847     .0091  .0098  .0095  .0083 -.0002  .0026  .0025
FeX1   .17085  .58558  .42249 .67 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
AlX1   .17085  .58558  .42249 .21 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
MgX1   .17085  .58558  .42249 .12 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
FeX2   .09331  .08534  .44465 .68 .0081  .0073  .0087  .0071 -.0014 -.0011 -.0016
MgX2   .09331  .08534  .44465 .32 .0081  .0073  .0087  .0071 -.0014 -.0011 -.0016
MnM1   .40036  .39500  .14503  .5 .0139  .0156  .0122  .0133 -.0020  .0015  .0010
FeM1   .40036  .39500  .14503  .5 .0139  .0156  .0122  .0133 -.0020  .0015  .0010
FeM2   .86433  .10538  .22203  .5 .0055  .0043  .0095  .0031  .0011  .0015 -.0020
MnM2   .86433  .10538  .22203  .5 .0055  .0043  .0095  .0031  .0011  .0015 -.0020
MnY1   .63196  .25018  .18278 .36 .0211  .0128  .0110  .0431 -.0037  .0142 -.0070
CaY1   .63196  .25018  .18278 .64 .0211  .0128  .0110  .0431 -.0037  .0142 -.0070
CaZ1   .48574  .48313  .33333 .28 .0097  .0088  .0071  .0125 -.0004  .0007  .0030
CaZ1   .48574  .48313  .33333 .72 .0097  .0088  .0071  .0125 -.0004  .0007  .0030
CaZ2   .77802  .01716  .03361 .16 .0130  .0169  .0135  .0085 -.0006  .0026 -.0009
MnZ2   .77802  .01716  .03361 .84 .0130  .0169  .0135  .0085 -.0006  .0026 -.0009
Al1    .79378  .40085 -.24963 .79 .0091
Fe1    .79378  .40085 -.24963 .21 .0091
Al2    .69337  .08254 -.15735 .93 .0111
Fe2    .69337  .08254 -.15735 .07 .0111
Al3    .57167  .41841  .52499 .99 .0033
Fe3    .57167  .41841  .52499 .01 .0033
Al4    .47177 -.09752  .11731 .84 .0038
Fe4    .47177 -.09752  .11731 .16 .0038
Al5    .37517  .59176  .22079 .89 .0053
Fe5    .37517  .59176  .22079 .11 .0053
Al6    .96963  .41774  .12540 .68 .0028
Fe6    .96963  .41774  .12540 .32 .0028
Al7   -.11089 -.09417  .14659 .71 .0158
Fe7   -.11089 -.09417  .14659 .29 .0158
Al8    .29588  .08395  .24195 .52 .0127
Fe8    .29588  .08395  .24195 .48 .0127
P1     .40209  .13488  .14892     .0030
P2     .70153  .34258 -.14612     .0066
P3     .30164  .34793  .25316     .0091
P4     .60162  .13727 -.05494     .0063
P5     .09175  .35266  .45270     .0063
P6     .38732  .46137  .43812     .0062
P7     .20519  .13444  .34885     .0062
P8     .05946  .36547  .01903     .0082
P9     .26781  .36553 -.18399     .0070
P10    .18424  .53436  .13790     .0073
P11   -.01674  .53784  .33383     .0071
P12    .49305  .35253  .05063     .0075
P13    .86212  .36354  .21862     .0127
P14    .78071  .46791  .03942     .0081
P15    .58616  .47773  .23731     .0112
P16    .56239  .15909  .51283     .0065
P17    .90474  .35027 -.33908     .0066
P18    .36003  .15004  .70594     .0094
P19    .17276 -.14959  .41438     .0099
P20    .45212  .35515  .61159     .0100
P21    .81270  .14356 -.24362     .0040
P22    .28217  .03770  .53366     .0079
P23   -.03645  .15884  .11323     .0108
P24    .99742  .86386  .05301     .0087
P25    .66298  .36209  .42220     .0078
P26    .07951 -.03460  .22874     .0066
P27    .48318  .03183  .32755     .0059
P28    .77030  .14964  .31600     .0069
P29    .87667  .03750 -.07163     .0080
P30    .67915  .02383  .12999     .0048
Na1    .58711  .01517  .22905 .72 .0053
Ca1    .58711  .01517  .22905 .28 .0053
Na2    .67265  .48283  .13788 .64 .0104
Ca2    .67265  .48283  .13788 .36 .0104
Na3     .7783   .7265  .04229     .0243
Na4     .2800   .2288  .03146     .0289
Na5     .1823   .2689  .13214     .0279
Na6     .8829   .7743 -.06103     .0238
Na7    .32117   .2532  .47428     .0123
Na8    .52955   .2480  .27670 .93 .0125
Na9     .3820  -.2751  .42969 .99 .0183
Na10    .1266   .7510  .17767     .0123
Na11    .9843   .2745  .33739 .93 .0163
Na12    .4874   .2275 -.17186     .0256
Na13    .0844   .2286  .23757 .99 .0212
Na14   .72405   .2534  .07897     .0170
Na15    .9333   .2464 -.11579 .93 .0156
Na16A   .5869   .2584  -.2831 .45  .027
Na16B   .6768   .2455   .6541 .55  .037
O1      .2157  -.0369  .55875     .0091
O2      .3082   .5281  .45960     .0046
O3      .5526   .2423 -.07616     .0081
O4      .1419   .4256 -.00312     .0156
O5      .2672  -.0947  .39937     .0142
O6      .0307   .4315  .06254     .0170
O7      .5675   .3456  .37889     .0092
O8      .3126   .2592 -.16320     .0112
O9      .1037   .2592  .03920     .0100
O10     .9626   .3513 -.02450     .0065
O11     .0575   .0976  .10099     .0156
O12     .1041   .4660  .15834     .0120
O13     .9486   .7598  .03040     .0106
O14     .6578   .0992  .50275     .0105
O15     .1671   .3473 -.22442     .0032
O16     .3448   .4172 -.21388     .0129
O17     .7442   .4056 -.18626     .0121
O18     .3527   .3466  .57063     .0050
O19     .5321   .4158  .58863     .0068
O20     .7002   .5388  .05777     .0117
O21     .2443   .4358 -.14177     .0139
O22     .4782   .1618  .46357     .0085
O23     .1347   .6220  .10101     .0160
O24     .7861   .3333 -.09712     .0133
O25     .7441   .4243  .40206     .0135
O26     .9338   .4226 -.38092     .0107
O27     .2078  -.2567  .43725     .0128
O28     .4160  -.0399  .35359     .0057
O29     .6307   .4298  .46454     .0109
O30     .8377   .4021  .08442     .0148
O31     .3977   .2575  .72980     .0137
O32     .5981   .2696  .53140     .0069
O33     .9434   .4199  .19349     .0152
O34     .1758   .3383  .50052     .0132
O35     .0574   .2412   .4292     .0179
O36     .8353   .0808 -.28988     .0135
O37     .3520   .2357  .12195     .0090
O38     .1340  -.0858  .45503     .0131
O39     .0851  -.1569  .36618     .0097
O40     .8293   .4406  .25769     .0185
O41     .3866   .3306  .30186     .0152
O42     .6666   .2286 -.16624     .0130
O43     .7689   .3374  .17650     .0107
O44     .8135  -.0357 -.04471     .0092
O45     .4444   .0971  .68327     .0084
O46     .5009   .5439  .25249     .0112
O47     .1578   .2407  .32789     .0115
O48    -.0884   .4744  .36085     .0075
O49     .8645   .0941  .30139     .0110
O50     .6288   .4081  .28293     .0189
O51     .3378   .3751  .39965     .0132
O52     .6046  -.0526  .14860     .0077
O53     .4929   .2449  .62732     .0091
O54     .4478   .3950  .48267     .0113
O55     .0191  -.0951  .18236     .0109
O56     .7273   .0740  .35189     .0165
O57     .9993   .3346 -.29549     .0156
O58     .0016   .2712  .13359     .0173
O59     .2438   .5963   .1838     .0180
O60     .9263   .1256 -.03436     .0101
O61     .7335   .3806  .00169     .0145
O62     .3376   .1147  .57543     .0102
O63     .4549   .2504  .02053     .0125
O64     .8187   .1026 -.11683     .0109
O65     .8467   .5405  .01414     .0141
O66     .0164   .0390  .25565     .0072
O67     .8090   .2509  .34555     .0133
O68     .5727   .3234  .09851     .0163
O69     .2475   .4604  .11107     .0136
O70     .4522   .5346  .41105     .0148
O71     .6598   .5557  .21891     .0131
O72    -.0751   .6144  .29081     .0157
O73     .3314   .0832  .74857     .0130
O74     .3450   .4189  .21420     .0134
O75     .4315   .4180  .65766     .0096
O76     .7170   .1038  .17244     .0090
O77     .2364   .0675  .30558     .0068
O78     .0455   .6191  .36917     .0141
O79     .5492   .4019  .19203     .0189
O80     .9105   .2658  .24579     .0170
O81     .1299   .4240  .41313     .0127
O82     .2208   .1147  .49404     .0180
O83     .5201   .0974  .55388     .0071
O84     .2665   .1623  .66292     .0071
O85    -.0765   .1028  .15428     .0186
O86     .1288  -.1220  .26605     .0077
O87     .0468   .4610  .30830     .0112
O88     .4382   .0581  .11045     .0037
O89     .3506  -.0275  .50570     .0124
O90     .1575   .0324  .20642     .0097
O91     .7082   .2569  .44322     .0159
O92    -.1212   .1644  .06483     .0113
O93     .7692   .2541 -.26036     .0133
O94     .4276   .0946  .28069     .0133
O95     .5406   .4294  .01605     .0055
O96     .5218   .0714 -.03358     .0055
O97     .5284   .1185  .36695     .0096
O98    -.0001   .4053  .46792     .0081
O99     .4027   .4079  .06671     .0096
O100    .0979   .8463  .09005     .0180
O101    .6967   .1581 -.01362     .0129
O102    .7318   .0802 -.22270     .0116
O103    .9531  -.0296  -.0935     .0181
O104    .6349   .0694 -.09713     .0077
O105    .6104   .4017 -.13406     .0114
O106    .3183   .0772  .17134     .0112
O107    .1241   .0736  .36999     .0117
O108    .9177   .9237  .07648     .0139
O109    .6867   .1697  .26900     .0122
O110    .9147   .1551 -.20436     .0138
O111    .2092   .4018  .26655     .0084
O112    .4951   .1667  .18886     .0138
O113    .3019   .1508  .38952     .0116
O114    .8158   .4044 -.32021     .0129
O115    .0183   .9365  .00970     .0117
O116    .5602  -.0384  .30651     .0065
O117    .6384   .0874  .08163     .0131
O118    .8662   .2417  -.3630     .0181
O119    .7632  -.0443  .11237     .0169
O120    .2656   .2389  .23025     .0213
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Manitobaite
 
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
 
The Canadian Mineralogist 49 (2011) 1221-1242
The crystal structure and crystal chemistry of manitobaite,
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
Note: brown sample
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018619
13.4499 12.5046 26.6148 90 101.221 90 Pc
atom         x        y        z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mn1    .275289  .488393  .535181     .01113 .00980 .01328 .01084 -.00104  .00330  .00029
Mn2    .084665  .511012  .235879     .00369 .00533 .00499 .00107 -.00011  .00140 -.00087
Mn3    .388493  .013166  .429833     .00539 .00481 .00521 .00637  .00017  .00163 -.00085
Mn4    .039362  .253828 -.212158     .01915 .01595 .01367 .02879 -.00095  .00670 -.00128
Mn5    .223740  .247211  .577391     .01022 .00467 .00353 .02546 -.00087  .01037  .00149
Mn6    .875860  .487213 -.063037     .01339 .01544 .01344 .01058  .00100  .00072  .00222
Mn7    .434902  .248667  .381585     .01324 .00891 .00537 .02676  .00347  .00673 -.00044
Mn8    .829743  .252777 -.016628     .01397 .01060 .00878 .02342 -.00442  .00548 -.00223
Mn9    .180012 -.011333  .131105     .01787 .02006 .01786 .01454  .00237  .00056 -.00111
Mn10  -.010780 -.011785  .331872     .00716 .00968 .00604 .00530 -.00298  .00031 -.00163
Fe1    .198527  .398349  .346680     .00923 .01055 .00785 .01027  .00015  .00443  .00096
Fe2    .597455  .397580 -.054478     .01133 .01370 .00906 .01114  .00164  .00220  .00369
Fe3    .992960  .603527  .048612     .00666 .00884 .00822 .00242 -.00084 -.00016  .00048
Fe4    .494370  .091271  .041046     .01080 .01047 .01141 .00978 -.00159  .00012 -.00172
Fe5    .770588  .409639  .326560     .00609 .00569 .00867 .00423  .00026  .00179  .00209
Fe6    .066056 1.102577  .020953     .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107
Fe7    .270389  .103308 -.181010     .01067 .01118 .00626 .01427 -.00039  .00170  .00035
Fe8    .667519 -.101813 -.079244     .00492 .00483 .00498 .00521  .00122  .00162  .00600
FeX1   .171047  .585961  .423389 .70 .00874 .00863 .00789 .00931 -.00083  .00080  .00057
AlX1   .171047  .585961  .423389 .30 .00874 .00863 .00789 .00931 -.00083  .00080  .00057
FeX2   .093311  .085168  .445086 .62 .00632 .00695 .00657 .00507 -.00095  .00026  .00043
AlX2   .093311  .085168  .445086 .38 .00632 .00695 .00657 .00507 -.00095  .00026  .00043
MnM1   .398564  .393158  .145179 .50 .01428 .01842 .01422 .00902  .00064 -.00023  .00306
FeM1   .398564  .393158  .145179 .50 .01428 .01842 .01422 .00902  .00064 -.00023  .00306
FeM2   .866058  .107348  .221745 .50 .00586 .00604 .00601 .00559  .00094  .00132 -.00404
MnM2   .866058  .107348  .221745 .50 .00586 .00604 .00601 .00559  .00094  .00132 -.00404
CaY1    .62967   .25097  .177303 .66 .01998 .00856 .00898 .04212 -.00099  .00423 -.00124
MnY1    .62967   .25097  .177303 .34 .01998 .00856 .00898 .04212 -.00099  .00423 -.00124
CaZ1   .487283  .484311  .333293 .16 .00866 .00867 .00938 .00742 -.00409  .00033  .00348
MnZ1   .487283  .484311  .333293 .84 .00866 .00867 .00938 .00742 -.00409  .00033  .00348
CaZ2   .777816   .01746  .033332 .27 .01491 .01880 .01330 .01183  .00056  .00104 -.00055
MnZ2   .777816   .01746  .033332 .73 .01491 .01880 .01330 .01183  .00056  .00104 -.00055
Na1     .59115   .01595  .229211 .61 .00749
Ca1     .59115   .01595  .229211 .39 .00749
Na2     .67392   .48572  .137898 .64 .01596
Ca2     .67392   .48572  .137898 .36 .01596
Na3     .77758   .72828   .04320 .83 .02469
Na4     .27766   .23226   .03604     .02821
Na5     .17900   .26727   .13857 .64  .0327
Na6     .88371   .77215  -.06119     .02042
Na7     .32368   .25332   .47543     .01254
Na8     .53007   .24815   .27562 .90 .01437
Na9     .38295  -.27238   .43047 .91 .02453
Na10    .12781   .74978   .17951     .01491
Na11    .98501   .27302   .33573 .80 .02071
Na12    .48787   .22765  -.17178 .90 .02836
Na13    .08484   .22981   .23605 .66  .0242
Na14    .72461   .25403   .07985 .81 .01986
Na15    .93188   .24718  -.11657 .92 .01751
Na16A   .59083   .25046  -.28804 .35  .0245
Na16B   .67976   .24262   .64754 .53  .0495
Al1     .79342   .40049 -.250217 .75 .01107
Fe1     .79342   .40049 -.250217 .25 .01107
Al2     .69418   .08221 -.157387 .90 .01052
Fe2     .69418   .08221 -.157387 .10 .01052
Al3     .57235   .41914  .525267     .00351
Al4     .47268  -.09917  .117278 .80 .00208
Fe4     .47268  -.09917  .117278 .20 .00208
Al5     .37424   .59111  .221204 .85 .00431
Fe5     .37424   .59111  .221204 .15 .00431
Al6     .96999   .41537  .125472 .65 .00488
Fe6     .96999   .41537  .125472 .35 .00488
Al7    -.10993  -.09204  .146562 .60 .01560
Fe7    -.10993  -.09204  .146562 .40 .01560
Al8     .29549   .08434  .242488 .55 .01013
Fe8     .29549   .08434  .242488 .45 .01013
P1      .40451   .13325  .149780     .00270
P2      .70158   .34239 -.146100     .00683
P3      .30326   .34825  .254888     .01117
P4      .60296   .13651 -.053852     .00400
P5      .09267   .35153  .453335     .00817
P6      .38566   .46182  .438171     .00596
P7      .20642   .13427  .350232     .00983
P8      .05772   .36556  .019263     .00412
P9      .26631   .36545 -.183968     .00297
P10     .18281   .53312  .137842     .00137
P11    -.01870   .53721  .334166     .00215
P12     .49317   .35141  .051195     .00500
P13     .86100   .36353  .218308     .01234
P14     .78064   .46884  .039804     .00417
P15     .58530   .47681  .236910     .00742
P16     .56115   .15930  .512140     .00521
P17     .90598   .35024 -.338620     .00485
P18     .35949   .15185  .706162     .00834
P19     .17135  -.14968  .414128     .00700
P20     .45191   .35655  .611792     .00828
P21     .81359   .14265 -.244013     .00365
P22     .28070   .03746  .533001     .01142
P23    -.03808   .15713  .112944     .00717
P24     .99974   .86526  .052822     .01038
P25     .66273   .36195  .422512     .00906
P26     .07963  -.03521  .228426     .01205
P27     .48299   .03191  .328111     .00939
P28     .77105   .15108  .315770     .00953
P29     .87654   .03654 -.071562     .00686
P30     .67863   .02137  .129560     .00855
O1      .21674  -.03608   .55823     .00800
O2      .30747   .52669   .45980     .00884
O3      .55305   .24152  -.07716     .00662
O4      .13792   .42569  -.00332      .0156
O5      .26556  -.09814   .39878      .0161
O6      .02764   .43360   .06233     .01349
O7      .56643   .34517   .37922     .00524
O8      .30991   .26048  -.16335     .01285
O9      .10025   .25998   .03795     .01167
O10     .96005   .35101  -.02412     .00439
O11     .05505   .09923   .10029     .01215
O12     .10441   .46673   .15967     .00723
O13     .95140   .75988   .02974     .01015
O14     .65420   .10117   .50142     .01293
O15     .16566   .34821  -.22387     .00663
O16     .34273   .41832  -.21353      .0158
O17     .74498   .40956  -.18626     .00833
O18     .35094   .34781   .57111     .00242
O19     .52839   .41795   .58836     .00889
O20     .69992   .53628   .05839     .01143
O21     .24399   .43814  -.14169     .01137
O22     .47675   .16285   .46343     .01086
O23     .13444   .62318   .10132      .0145
O24     .78532   .33406  -.09730     .01150
O25     .74106   .42447   .40152      .0167
O26     .93476   .42518  -.38113     .00639
O27     .20255  -.25660   .43799     .01348
O28     .41603  -.03911   .35302     .00676
O29     .62840   .42879   .46387     .01291
O30     .83757   .40431   .08445      .0160
O31     .39359   .25942   .72939      .0148
O32     .59542   .26980   .53243     .00873
O33     .94045   .41976   .19318      .0153
O34     .17881   .33998   .50054     .01211
O35     .05775   .23797   .43070      .0172
O36     .83398   .07894  -.29107     .00786
O37     .35373   .23522   .12187     .00944
O38     .13296  -.08505   .45456     .01144
O39     .08643  -.15824   .36562     .00984
O40     .82687   .44146   .25733      .0181
O41     .38564   .33355   .30288      .0154
O42     .66691   .22807  -.16540     .01098
O43     .76580   .34054   .17681     .01007
O44     .81219  -.03374  -.04447     .01054
O45     .44443   .09943   .68411     .00792
O46     .50033   .54248   .25414     .01367
O47     .15971   .24161   .32926     .01223
O48    -.09081   .47377   .36042     .00991
O49     .86311   .09522   .30078      .0157
O50     .62893   .41009   .28331      .0185
O51     .33591   .37573   .40039     .01245
O52     .60487  -.05228   .14905     .01168
O53     .49222   .24690   .62693     .00701
O54     .44568   .39669   .48218     .01333
O55     .02075  -.09473   .18161      .0162
O56     .72680   .07864   .35170      .0183
O57     .99830   .33464  -.29590     .01162
O58    -.00538   .26714   .13345      .0171
O59     .24299   .59459   .18395     .00918
O60     .92641   .12551  -.03418     .00932
O61     .73557   .38117   .00046     .01432
O62     .33624   .11596   .57466     .01071
O63     .45508   .24769   .02116      .0178
O64     .81893   .10055  -.11790     .00770
O65     .84668   .54479   .01315     .01240
O66     .01658   .03671   .25543     .01057
O67     .80800   .25312   .34477     .01258
O68     .57329   .32516   .09826      .0152
O69     .24755   .45956   .11058     .00754
O70     .44955   .53859   .41109     .01040
O71     .65900   .55698   .21859     .00892
O72    -.07492   .61498   .29190      .0135
O73     .33097   .08621   .74854     .01115
O74     .34429   .42177   .21548      .0146
O75     .42731   .41867   .65698     .01288
O76     .71743   .10078   .17361     .00970
O77     .23472   .06822   .30574     .00835
O78     .04399   .61567   .37223     .01322
O79     .54787   .39828   .19414      .0222
O80     .90513   .26569   .24341      .0202
O81     .13094   .42505   .41315     .01287
O82     .22005   .11377   .49369      .0182
O83     .52108   .09972   .55400     .00873
O84     .26508   .16070   .66199     .00867
O85    -.08032   .09769   .15288      .0139
O86     .12953  -.12225   .26584     .00674
O87     .04835   .45882   .30885     .00978
O88     .43619   .05660   .10980     .00436
O89     .35092  -.02842   .50509     .00869
O90     .16076   .03474   .20832     .01193
O91     .70690   .25683   .44061      .0194
O92    -.12272   .16204   .06349     .01157
O93     .76983   .25342  -.26072      .0152
O94     .42531   .09673   .28182     .01164
O95     .53982   .42982   .01535     .00229
O96     .52061   .07131  -.03253     .00336
O97     .52904   .11732   .36690     .00860
O98    -.00115   .40579   .46737     .00596
O99     .39952   .40659   .06559     .00634
O100    .09993   .84941   .09008     .01351
O101    .69617   .15663  -.01354      .0191
O102    .73065   .07875  -.22295     .00779
O103    .95583  -.03388  -.09308     .01104
O104    .63384   .06660  -.09710     .00571
O105    .60822   .40277  -.13401     .01022
O106    .31936   .07558   .17254     .00563
O107    .12350   .07310   .37180     .00918
O108    .91868   .92445   .07651     .00671
O109    .68989   .17131   .26779      .0193
O110    .91405   .15518  -.20477      .0152
O111    .20808   .40305   .26748     .01288
O112    .49662   .16456   .18931      .0166
O113    .30233   .14815   .38997      .0151
O114    .81511   .40349  -.31995      .0142
O115    .02269   .93559   .00856     .01119
O116    .56112  -.03936   .30709     .00565
O117    .63717   .08731   .08159      .0147
O118    .86856   .24001  -.36275     .01258
O119    .76211  -.04835   .11325     .01068
O120    .26863   .23497   .23250      .0172
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Billwiseite
 
Hawthorne F C, Cooper M A, Ball N A, Abdu Y A, Cerny P, Camara F, Laurs B M
 
The Canadian Mineralogist 50 (2012) 805-814
Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species
from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan:
description and crystal structure
Locality: the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan
_database_code_amcsd 0019765
54.116 4.9143 5.5482 90 90.425 90 C2/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)
Sb1       0   .1983    .75     .0139  .0115  .0087  .0214      0   .0062      0
Sb2  .22152 -.20656 .32554     .0132  .0161  .0103  .0133 -.0056   .0035 -.0012
Sb3  .10997  .29999 .72606     .0129  .0126  .0096  .0163 -.0035  -.0049  .0014
NbM1 .05480  .25442 .13172 .33 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
TaM1 .05480  .25442 .13172 .32 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
TiM1 .05480  .25442 .13172 .04 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
WM1  .05480  .25442 .13172 .31 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
NbM2 .16463  .23919 .37332 .33 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
TaM2 .16463  .23919 .37332 .32 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
TiM2 .16463  .23919 .37332 .04 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
WM2  .16463  .23919 .37332 .31 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
O1   .12890    .413  .4089      .012   .002   .013   .020   .001   -.002   .001
O2   .02086    .087  .0867      .011   .005   .014   .015  -.002   -.002  -.002
O3   .06472    .013  .3665      .013   .008   .013   .017   .000    .002   .010
O4   .23860    .068  .1263      .012   .005   .017   .013  -.006   -.004   .001
O5   .08747   .4130  .0794      .010   .006   .008   .015  -.005    .002   .002
O6   .15095   .0356  .6676      .011   .011   .006   .017   .000   -.003   .002
O7   .19594    .085  .4244      .013   .012   .012   .015   .001    .001  -.002
O8   .17287    .521  .6311      .016   .012   .016   .020   .000   -.002  -.006
O9   .04268    .477  .8372      .013   .008   .017   .015   .002   -.002   .007
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Natrotantite
Download hom/natrotantite.pdf
Ercit T S, Hawthorne F C, Cerny P
 
Bulletin de Mineralogie 108 (1985) 541-549
Locality: synthetic
The crystal structure of synthetic natrotantite
_database_code_amcsd 0012086
6.2092 6.2092 36.6190 90 90 120 R-3c
atom     x    y     z Biso
Na       0    0 .3323  3.1
Ta1  .3641    0   .25 3.14
Ta2      0    0     0 3.36
O1    .052 .414 .1975  2.2
O2    .750    0   .25  3.6
O3       0    0 .4074  1.8
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Hydroxykenomicrolite
Download hom/hydroxykenomicrolite.pdf
Ercit T S, Cerny P, Hawthorne F C
 
Mineralogy and Petrology 48 (1993) 235-255
Cesstibtantite - a geologic introduction to the inverse pyrochlores
Locality: Leshaia pegmatite, Kola Peninsula, Russia
Sample: KO-1
_database_code_amcsd 0014636
10.515 10.515 10.515 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb3+A .518 .518 .455 .0475 .0150
NaA   .518 .518 .455 .0258 .0150
PbA   .518 .518 .455 .0017 .0150
Bi3+A .518 .518 .455 .0008 .0150
TaB      0    0    0   .94        .0202  .0202  .0202 -.0040 -.0040 -.0040
NbB      0    0    0   .06        .0202  .0202  .0202 -.0040 -.0040 -.0040
Oo    .314 .125 .125 .9483        .0212  .0233  .0233      0      0  .0043
OHo   .314 .125 .125 .0258        .0212  .0233  .0233      0      0  .0043
Fo    .314 .125 .125 .0258        .0212  .0233  .0233      0      0  .0043
Csphi .375 .375 .375   .31 .0580
OHphi .375 .375 .375  .345 .0580
Fphi  .375 .375 .375  .345 .0580
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Hydroxykenomicrolite
Download hom/hydroxykenomicrolite.pdf
Ercit T S, Cerny P, Hawthorne F C
 
Mineralogy and Petrology 48 (1993) 235-255
Cesstibtantite - a geologic introduction to the inverse pyrochlores
Loclity: Tanco pegmatite, Manitoba, Canada
Sample: SMP 6
_database_code_amcsd 0014637
10.496 10.496 10.496 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaA   .513 .513 .471 .0375 .0150
Sb3+A .513 .513 .471 .0325 .0150
PbA   .513 .513 .471 .0117 .0150
CaA   .513 .513 .471  .005 .0150
Bi3+A .513 .513 .471 .0017 .0150
TaB      0    0    0  .975        .0098  .0098  .0098 -.0026 -.0026 -.0026
NbB      0    0    0  .025        .0098  .0098  .0098 -.0026 -.0026 -.0026
Oo    .311 .125 .125 .9633        .0162  .0255  .0255      0      0  .0081
OHo   .311 .125 .125 .0183        .0162  .0255  .0255      0      0  .0081
Fo    .311 .125 .125 .0183        .0162  .0255  .0255      0      0  .0081
Csphi .375 .375 .375   .22 .0370
Kphi  .375 .375 .375   .01 .0370
OHphi .375 .375 .375  .275 .0370
Fphi  .375 .375 .375  .275 .0370
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Total number of retrieved datasets: 46
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