American Mineralogist Crystal Structure Database

35 matching records for this search.

Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28658 natural from Maevatanana, Malagasy Republic
_database_code_amcsd 0001353
6.549 8.695 7.060 90 113.87 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)
Ca       0 .1677   .75  .0072  .0071  .0254      0 -.0005      0
Ti       0    .5     0  .0047  .0081  .0178 -.0002  .0017  .0045
Si       0 .1828   .25  .0042  .0059  .0070      0  .0019      0
O1       0 .5714   .25  .0118  .0083  .0082      0  .0055      0
O2   .1855 .0663 .4102  .0057  .0090  .0110  .0007  .0020  .0017
O3   .1025 .2893 .1185  .0068  .0088  .0098  .0001  .0037  .0008
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic
_database_code_amcsd 0001354
6.539 8.692 7.037 90 113.79 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)
Ca       0 .1681   .75  .0070  .0055  .0233      0 -.0010      0
Ti       0    .5     0  .0048  .0059  .0145  .0001  .0018  .0047
Si       0 .1830   .25  .0046  .0034  .0055      0  .0017      0
O1       0 .5706   .25  .0145  .0071  .0058      0  .0056      0
O2   .1854 .0666 .4107  .0065  .0071  .0099  .0005  .0015  .0010
O3   .1024 .2896 .1177  .0064  .0064  .0074  .0022  .0031  .0033
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample E2312 natural, from Sebastapol Twp., Ontario
_database_code_amcsd 0001355
6.554 8.708 7.069 90 113.93 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)
Ca       0 .1675   .75  .0090  .0072  .0309      0 -.0013      0
Ti       0    .5     0  .0072  .0087  .0174  .0041  .0025  .0000
Si       0 .1830   .25  .0065  .0064  .0078      0  .0025      0
O1       0 .5719   .25  .0127  .0081  .0087      0  .0047      0
O2   .1855 .0665 .4104  .0082  .0107  .0126  .0018  .0015  .0006
O3   .1027 .2897 .1186  .0098  .0093  .0128  .0018  .0052  .0009
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample E2312 annealed at 1090 C, from Sebastapol Twp., Ontario
_database_code_amcsd 0001356
6.547 8.695 7.059 90 113.94 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)
Ca       0 .1673   .75  .0076  .0061  .0269      0 -.0005      0
Ti       0    .5     0  .0047  .0064  .0152  .0044  .0021 -.0001
Si       0 .1832   .25  .0052  .0050  .0069      0  .0024      0
O1       0 .5717   .25  .0102  .0056  .0072      0  .0049      0
O2   .1857 .0665 .4108  .0070  .0071  .0112  .0012  .0024  .0005
O3   .1030 .2896 .1188  .0076  .0065  .0094  .0015  .0039  .0008
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28173 natural, from Gjerstad, Norway
_database_code_amcsd 0001357
6.564 8.719 7.057 90 113.79 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)
Ca       0 .1686   .75  .0105  .0086  .0336      0 -.0022      0
Ti       0    .5     0  .0105  .0123  .0200  .0036  .0036  .0004
Si       0 .1827   .25  .0094  .0084  .0102      0  .0036      0
O1       0 .5717   .25  .0163  .0124  .0138      0  .0057      0
O2   .1851 .0660 .4103  .0117  .0149  .0170  .0019  .0024 -.0004
O3   .1033 .2895 .1188  .0130  .0130  .0169  .0022  .0060  .0016
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28173 annealed at 1090 C, from Gjerstad, Norway
_database_code_amcsd 0001358
6.538 8.699 7.044 90 113.76 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)
Ca       0 .1678   .75  .0061  .0058  .0240      0 -.0018      0
Ti       0    .5     0  .0055  .0076  .0134  .0036  .0018 -.0001
Si       0 .1828   .25  .0060  .0058  .0071      0  .0022      0
O1       0 .5727   .25  .0111  .0089  .0065      0  .0035      0
O2   .1850 .0658 .4113  .0084  .0105  .0170  .0021  .0025  .0011
O3   .1035 .2892 .1187  .0104  .0084  .0169  .0027  .0059  .0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample from Cardiff U Mine, Ontario, natural
_database_code_amcsd 0001359
6.607 8.775 7.110 90 114.08 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)
Ca       0 .1687   .75  .0173  .0165  .0566      0 -.0041      0
Ti       0    .5     0  .0202  .0245  .0405  .0049  .0056  .0015
Si       0 .1835   .25  .0171  .0190  .0241      0  .0049      0
O1       0 .5709   .25  .0227  .0218  .0283      0  .0061      0
O2   .1859 .0664 .4094  .0217  .0274  .0316  .0026  .0039 -.0007
O3   .1019 .2904 .1194  .0198  .0257  .0322  .0031  .0079  .0033
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample from Cardiff U Mine, Ontario, annealed at 1090 C
_database_code_amcsd 0001360
6.530 8.677 7.048 90 113.91 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)
Ca       0 .1669   .75  .0016  .0001  .0194      0 -.0033      0
Ti       0    .5     0  .0039  .0053  .0144 -.0001  .0018  .0049
Si       0 .1835   .25  .0023  .0010  .0024      0  .0016      0
O1       0 .5725   .25  .0070  .0018  .0001      0  .0000      0
O2   .1877 .0668 .4115  .0007  .0054  .0065 -.0009  .0000  .0010
O3   .1034 .2904 .1186  .0032  .0019  .0059  .0012  .0023  .0015
Download AMC data (View Text File)
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Download diffraction data (View Text File)
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 #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
Download AMC data (View Text File)
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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
Download AMC data (View Text File)
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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 #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
Download AMC data (View Text File)
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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 #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
Download AMC data (View Text File)
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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 #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
Download AMC data (View Text File)
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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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View JMOL 3-D Structure (permalink)
 
Vladykinite
 
Chakhmourdian A R, Cooper M A, Ball N, Reguir E P, Medici L, Abdu Y A, Antonov A A
 
American Mineralogist 99 (2014) 235-241
Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline
rocks of the Murun complex, eastern Siberia, Russia
Locality: Murun complex, eastern Siberia, Russia
_database_code_amcsd 0020023
5.21381 7.9143 26.0888 90 90.3556 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)
Na1      .5      .5      .5        .0278  .0125  .0464  .0244  -.0051  .0038  -.0174
Na2  .48483  .44221  .63351  .725  .0210  .0110  .0366  .0153   .0068  .0011   .0130
Ca2  .48483  .44221  .63351  .275  .0210  .0110  .0366  .0153   .0068  .0011   .0130
Sr1  .49578 .902940 .570050       .01107 .01124 .01049 .01149  .00041 .00051 -.00036
Sr2  .50609  .58890 .776998   .92 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
K2   .50609  .58890 .776998   .02 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
La2  .50609  .58890 .776998   .01 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
Ce2  .50609  .58890 .776998  .005 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
Fe2+ .00453  .75589 .675450  .375 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Fe3+ .00453  .75589 .675450   .33 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Mn   .00453  .75589 .675450   .13 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Zn   .00453  .75589 .675450   .08 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Al   .00453  .75589 .675450   .06 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Mg   .00453  .75589 .675450  .025 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Ti   .00453  .75589 .675450  .005 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Si1  .94527  .39083 .714236       .01073 .00941  .0103 .01253 -.00032 .00084 -.00214
Si2  .95867  .10612 .634013       .01018 .00984  .0119 .00877  .00098 .00032 -.00105
Si3  .05166  .23197 .531395       .00944 .01026 .00856 .00950  .00120 .00122  .00102
Si4  .02973  .60042 .567524       .00895 .00852  .0087 .00961  .00019 .00013  .00002
O1    .2494  .39304  .71818        .0175  .0110  .0194  .0219  -.0013 -.0005  -.0047
O2    .8052  .56879  .70091        .0180  .0159  .0131  .0249   .0020  .0017   .0000
O3    .7963  .32075  .76480        .0170  .0150  .0175  .0185  -.0008  .0047  -.0004
O4    .8411  .26336  .66773        .0169  .0118  .0193  .0198   .0010 -.0001  -.0093
O5    .7412  .58495  .86101        .0209  .0121  .0349  .0157  -.0069 -.0009   .0055
O6    .7921 -.05618  .65173        .0161  .0178  .0156  .0151  -.0010  .0020   .0015
O7    .8648  .14346  .57432        .0138  .0131  .0175  .0107  -.0037 -.0009   .0019
O8    .2852  .11891  .51492        .0155  .0168  .0168  .0131   .0074  .0028   .0010
O9    .1552  .41060  .55787        .0131  .0127  .0090  .0177   .0005 -.0001  -.0012
O10   .1358  .71048  .51702        .0130  .0119  .0140  .0133   .0000  .0007   .0036
O11   .7275  .60334  .57060        .0140  .0100  .0170  .0150  -.0001  .0007   .0000
O12   .1881  .67881  .61515        .0145  .0140  .0152  .0143  -.0010 -.0026  -.0017
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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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Eckermannite
Download hom/eckermannite.pdf
Oberti R, Boiocchi M, Hawthorne F C, Ball N A, Harlow G E
 
American Mineralogist 100 (2015) 909-914
Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal
structure, mineral data, and hints on the reasons for the rarity of eckermannite
Note: Sample AMNH H108401
Locality: Jade Mine Tract, Kachin Province, Myanmar
_database_code_amcsd 0020422
9.8087 17.8448 5.2905 90 103.6600 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)
Na1       0 .27541     .5 .945 .0192  .0211  .0171  .0217      0  .0099      0
Ca1       0 .27541     .5 .055 .0192  .0211  .0171  .0217      0  .0099      0
Na2       0     .5      0 .289 .0207  .0098  .0300  .0276      0  .0150      0
K2        0     .5      0 .021 .0207  .0098  .0300  .0276      0  .0150      0
Na3   .0259     .5  .0717 .118 .0381  .0370  .0416  .0328      0  .0026      0
K3    .0259     .5  .0717 .009 .0381  .0370  .0416  .0328      0  .0026      0
Na4       0  .4733      0 .207 .0392  .0394  .0139  .0769      0  .0380      0
K4        0  .4733      0 .014 .0392  .0394  .0139  .0769      0  .0380      0
Mg1       0 .09002     .5  .95 .0102  .0107  .0108  .0088      0  .0019      0
Fe1       0 .09002     .5  .05 .0102  .0107  .0108  .0088      0  .0019      0
Mg2       0 .18130      0 .512 .0103  .0097  .0113  .0096      0  .0018      0
Al1       0 .18130      0  .31 .0103  .0097  .0113  .0096      0  .0018      0
Fe2       0 .18130      0 .178 .0103  .0097  .0113  .0096      0  .0018      0
Mg3       0      0      0  .96 .0098  .0110  .0098  .0078      0  .0010      0
Fe3       0      0      0  .03 .0098  .0110  .0098  .0078      0  .0010      0
Mn3       0      0      0  .01 .0098  .0110  .0098  .0078      0  .0010      0
Si1  .27930 .08630 .29240      .0085  .0083  .0094  .0074 -.0003  .0009 -.0002
Si2  .28706 .17250 .80083      .0093  .0098  .0098  .0080 -.0011  .0016  .0001
O1   .11100 .08805 .21287      .0108  .0089  .0132  .0102 -.0013  .0022 -.0019
O2   .11802 .16990 .73412      .0118  .0110  .0118  .0110      0 -.0010 -.0005
O3   .10828      0 .70978 .985 .0134  .0116  .0144  .0135      0  .0017      0
F3   .10828      0 .70978 .015 .0134  .0116  .0144  .0135      0  .0017      0
O4   .36274 .25079 .79757      .0147  .0197  .0113  .0137 -.0041  .0052  .0002
O5   .34970 .12893 .08338      .0130  .0097  .0181  .0105 -.0006  .0008  .0038
O6   .34156 .11827 .58486      .0138  .0125  .0182  .0098  .0003  .0009 -.0034
O7   .33725      0 .28952      .0146  .0138  .0106  .0190      0  .0032      0
H1    .2036      0  .7404 .985  .013
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Pieczkaite
 
Tait K, Ball N A, Hawthorne F C
 
American Mineralogist 100 (2015) 1047-1052
Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake,
Manitoba, Canada: Description and crystal structure
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0020469
9.504 9.504 6.347 90 90 120 P6_3/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)
Mn1    1/3   2/3 -.0060   .545 .0137  .0092  .0092  .0203  .0046      0      0
Ca1    1/3   2/3 -.0060   .425 .0137  .0092  .0092  .0203  .0046      0      0
Fe1    1/3   2/3 -.0060    .06 .0137  .0092  .0092  .0203  .0046      0      0
Mn2  .7291 .7532    .25 .77333 .0225   .030  .0186  .0227  .0148      0      0
Fe2  .7291 .7532    .25 .04667 .0225   .030  .0186  .0227  .0148      0      0
Ca2  .7291 .7532    .25    .18 .0225   .030  .0186  .0227  .0148      0      0
P1   .5955 .9725    .25        .0143  .0090  .0066  .0267  .0034      0      0
O1   .6486 .1527    .25        .0186   .018   .007   .027   .003      0      0
O2   .4081 .8675    .25        .0226   .006   .009   .050   .002      0      0
O3   .6565 .9219  .0564        .0243   .029   .021   .029   .018   .001  -.001
Cl1      0     0  .2179    .36  .021
OH1      0     0  .2179    .14  .021
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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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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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Vlasovite
Download hom/vlasovite.pdf
Sokolova E, Hawthorne F C, Ball N A, Mitchell R H, Della Ventura G
Download cm/vol44/CM44_1349.pdf
The Canadian Mineralogist 44 (2006) 1349-1356
Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada:
Crystal-structure refinement and infrared spectroscopy
Locality: Kipawa alkaline complex, Quebec, Canada
_database_code_amcsd 0006128
11.0390 10.0980 8.5677 90 100.313 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)
Na1       0 .07593    .75      .0304  .0406  .0229  .0308      0  .0151       0
Na2A      0  .3985    .75 .82  .0448  .0265  .0312   .068      0 -.0140       0
Na2B  .9851  .4308   .834 .09  .0448  .0265  .0312   .068      0 -.0140       0
Zr      .25    .25      0     .01173 .01314 .01159 .01088 .00069 .00323 -.00015
Si1  .26448 .07231 .63875     .01306  .0143  .0123  .0126 .00067 .00227 -.00110
Si2  .04996 .21676 .42721     .01386  .0120  .0161  .0135 .00001 .00238 -.00019
O1        0 .16001    .25      .0207  .0265  .0209  .0133      0 -.0001       0
O2   .14362 .10274 .50471      .0291  .0260  .0284  .0281  .0125 -.0083  -.0041
O3   .11547 .35857  .4155      .0291  .0286  .0220  .0411 -.0104  .0182  -.0070
O4   .05651 .23057 .97038      .0200  .0156  .0249  .0206  .0001  .0065   .0016
O5   .23987 .13443 .80125      .0244  .0384  .0192  .0173  .0006  .0091  -.0052
O6   .28874 .08336 .14471      .0179  .0225  .0128  .0180 -.0014  .0022   .0019
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Groatite
Download hom/groatite.pdf
Cooper M A, Hawthorne F C, Ball N A, Ramik R A, Roberts A C
Download cm/vol47/CM47_1225.pdf
The Canadian Mineralogist 47 (2009) 1225-1235
Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group
from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and
crystal structure
Locality: Tanco Pegmatite, Bernic Lake, Manitoba, Canada
_database_code_amcsd 0006298
12.5435 12.4324 6.7121 90 115.332 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaA2      0 -.0439    .25  .0284  .0196  .0455  .0152      0  .0029      0
CaM1      0 .28883    .25  .0119  .0116  .0098  .0155      0  .0070      0
MnM2 .28243 .66313 .36073 .01008  .0111  .0080  .0112  .0001  .0049  .0002
PT1       0 .68999    .25  .0085  .0090  .0078  .0081      0  .0031      0
PT2  .21416 .89604 .11515  .0089  .0104  .0070  .0091  .0000  .0041  .0000
O1    .4548  .7384  .5439  .0119  .0117  .0132  .0094  .0002  .0032 -.0019
O2    .0980  .6176  .2399  .0136  .0111  .0094  .0198  .0006  .0062 -.0009
O3    .3403  .6683  .0986  .0129  .0161  .0117  .0114 -.0018  .0064 -.0003
Oh4   .1528  .4220  .3401  .0144  .0121  .0085  .0226  .0023  .0074  .0011
O5    .2178  .8289  .3081  .0115  .0105  .0115  .0110  .0010  .0032  .0005
O6    .3501  .5020  .4042  .0127  .0120  .0093  .0163 -.0006  .0057  .0020
H      .128  .4970   .305    .07
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Georgerobinsonite
 
Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E
 
The Canadian Mineralogist 49 (2011) 865-876
Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the
Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure
Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA
_database_code_amcsd 0018387
7.6256 11.6081 6.8961 90 90 90 *Pmmn
.25 .25 0
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Pb(1)    .25 .59690 .12642     .02183  .0256  .0233  .0166      0       0 -.0031
Pb(2) .50242    .25 .41670     .02025  .0147  .0239  .0221      0 -.00089      0
Cr       .25 .49812  .6485      .0129  .0134  .0135  .0117      0       0 -.0015
Cl       .25  .2284  .0720  .5  .0217
F        .75    .25  .1327       .027   .035   .034   .011      0       0      0
O(1)   .4226  .5121  .7804      .0264   .023   .033   .023   .006   -.003  -.006
O(2)     .25  .6070  .4931      .0232   .028   .021   .021      0       0  -.000
O(3)     .25  .3763  .5289      .0235   .023   .016   .032      0       0  -.003
Oh4    .4388    .75  .2306      .0166   .014   .019   .016      0   -.001      0
H       .550    .75   .159        .02
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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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Wopmayite
 
Cooper M A, Hawthorne F C, Abdu Y A, Ball N A, Ramik R A, Tait K T
 
The Canadian Mineralogist 51 (2013) 93-106
Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from
the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure
Locality: the Tanco Mine, Bernic Lake, Manitoba, Canada
_database_code_amcsd 0019803
10.3926 10.3926 37.1694 90 90 120 R3c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mn2+M     0      0      0 .56 .00901  .0090  .0090  .0090 .00450       0       0
Fe3+M     0      0      0 .11 .00901  .0090  .0090  .0090 .00450       0       0
Fe2+M     0      0      0 .14 .00901  .0090  .0090  .0090 .00450       0       0
MgM       0      0      0 .11 .00901  .0090  .0090  .0090 .00450       0       0
AlM       0      0      0 .08 .00901  .0090  .0090  .0090 .00450       0       0
Ca1  .28367 .14635 .56677 .97 .01148  .0127  .0114  .0114  .0069 -.00174 -.00247
Na1  .28367 .14635 .56677 .03 .01148  .0127  .0114  .0114  .0069 -.00174 -.00247
Ca2  .39191 .18197 .76755 .95 .01160  .0120  .0105  .0123  .0056 -.00306 -.00080
Na2  .39191 .18197 .76755 .05 .01160  .0120  .0105  .0123  .0056 -.00306 -.00080
Ca3  .28110 .14942 .67411 .59  .0292  .0422  .0273  .0288  .0255  -.0157  -.0129
Na3  .28110 .14942 .67411 .41  .0292  .0422  .0273  .0288  .0255  -.0157  -.0129
P1   .31498 .14281 .86592     .00993  .0104  .0103  .0100  .0059  -.0001   .0001
P2   .35226 .15731 .96824     .01012  .0103  .0106  .0097  .0054   .0006   .0010
P3        0      0 .75840 .85  .0108  .0088  .0088  .0148  .0044       0       0
P4        0      0  .7335 .15  .0108  .0088  .0088  .0148  .0044       0       0
NaX       0      0  .8136 .20    .11   .065   .065    .19   .033       0       0
O1    .2707  .0955 .82566 .80  .0188  .0211  .0267  .0093  .0124  -.0009  -.0017
OH1   .2707  .0955 .82566 .20  .0188  .0211  .0267  .0093  .0124  -.0009  -.0017
O2    .2430  .2298 .87911      .0200  .0258  .0264  .0190  .0214   .0023  -.0000
O3    .2717  .0003 .88666      .0141  .0148  .0118  .0127  .0044   .0009   .0020
O4    .4854  .2409 .86853      .0161  .0127  .0131  .0210  .0053   .0005   .0008
O5    .3979  .0463 .95471      .0182  .0233  .0229  .0149  .0165   .0010  -.0016
O6    .4170  .3017 .94682      .0213  .0256  .0148  .0193  .0071   .0036   .0075
O7    .1808  .0807 .96383      .0144  .0131  .0146  .0161  .0075  -.0018  -.0016
O8    .3998  .1948 .00773      .0175  .0220  .0191  .0125  .0112  -.0036  -.0004
OH9       0      0  .8022 .85  .0245   .026   .026   .022  .0128       0       0
O10  -.0165  .1312 .74664      .0195  .0194  .0127  .0288  .0098   .0072   .0048
O11       0      0  .6931 .15   .034
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Ferro-ferri-nyboite
 
Lussier A J, Hawthorne F C, Abdu Y A, Ball N A, Tait K T, Back M E, Steede A H,
Taylor R, McDonald A M
 
The Canadian Mineralogist 52 (2015) 1019-1026
Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from
Mont Saint-Hilaire, Quebec, Canada: description and crystal structure
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0020466
9.9190 18.0885 5.3440 90 103.813 90 C2/m
atom       x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .27830 .08604 .29111 .8525 .00703  .0079  .0062  .0065  .0001  .0009  .0002
Al1   .27830 .08604 .29111 .1475 .00703  .0079  .0062  .0065  .0001  .0009  .0002
Si2   .28889 .17093 .80075       .00808  .0081  .0084  .0079 -.0011  .0021 -.0002
Fe1        0 .09148     .5  .895 .01009  .0118  .0102  .0086      0 .00319      0
Mn1        0 .09148     .5  .105 .01009  .0118  .0102  .0086      0 .00319      0
Fe2+2      0 .18347      0   .33 .00791  .0082  .0069  .0088      0 .00238      0
Fe3+2      0 .18347      0   .64 .00791  .0082  .0069  .0088      0 .00238      0
Ti2        0 .18347      0   .03 .00791  .0082  .0069  .0088      0 .00238      0
Fe3        0      0      0    .8  .0091  .0116  .0069  .0085      0  .0017      0
Mn3        0      0      0    .1  .0091  .0116  .0069  .0085      0  .0017      0
Zn3        0      0      0   .01  .0091  .0116  .0069  .0085      0  .0017      0
Mg3        0      0      0   .06  .0091  .0116  .0069  .0085      0  .0017      0
Na4        0 .27795     .5  .915  .0167  .0203  .0130  .0210      0  .0134      0
Ca4        0 .27795     .5  .085  .0167  .0203  .0130  .0210      0  .0134      0
NaA2       0  .5127      0 .1133  .0171
KA2        0  .5127      0  .045  .0171
NaAm   .0368     .5   .091 .1133  .0171
KAm    .0368     .5   .091  .045  .0171
NaAm2   .085     .5   .160 .1133  .0171
KAm2    .085     .5   .160  .045  .0171
O1     .1096 .09085  .2069        .0102  .0097  .0119  .0086 -.0012  .0016 -.0006
O2    .12071 .17298  .7349        .0108  .0093  .0113  .0113  .0002  .0012 -.0013
O3     .1099      0  .7074   .79  .0221  .0227  .0216  .0218      0  .0046      0
F3     .1099      0  .7074   .21  .0221  .0227  .0216  .0218      0  .0046      0
O4     .3650 .24827  .7975        .0134  .0165  .0111  .0141 -.0054  .0064 -.0019
O5     .3476 .12845  .0800        .0145  .0125  .0185  .0125  .0007  .0029  .0056
O6     .3394 .11873  .5821        .0143  .0132  .0165  .0133 -.0003  .0034 -.0056
O7     .3327      0  .2940        .0155  .0134  .0098  .0221      0  .0023      0
H       .213      0   .754   .79 .01500
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Ferro-fluoro-pedrizite
 
Oberti R, Boiocchi M, Ball N A, Hawthorne F C
 
Mineralogical Magazine 73 (2009) 487-494
Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole
group from the Sutlug River, Tuva Republic, Russia: description and crystal structure
Locality: Sutlug River, Tuva Republic, Russia
_database_code_amcsd 0017596
9.3720 17.6312 5.2732 90 102.247 90 C2/m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA      0    .5     0 .03 3.28   .192   .009   .346      0   .219      0
NaAm .0715    .5 .1452 .32 2.37   .102   .015   .233      0   .114      0
LiM4     0 .2571    .5 .95 1.59   .040   .020   .095      0   .024      0
NaM4     0 .2571    .5 .03 1.59   .040   .020   .095      0   .024      0
CaM4     0 .2571    .5 .02 1.59   .040   .020   .095      0   .024      0
MgM1     0 .0894    .5 .55  .54   .018   .005   .049      0   .011      0
FeM1     0 .0894    .5 .44  .54   .018   .005   .049      0   .011      0
ZnM1     0 .0894    .5 .01  .54   .018   .005   .049      0   .011      0
AlM2     0 .1794     0 .99  .42   .011   .003   .043      0   .005      0
FeM2     0 .1794     0 .01  .42   .011   .003   .043      0   .005      0
LiM3     0     0     0 .66  .33   .014   .002   .028      0      0      0
FeM3     0     0     0 .26  .33   .014   .002   .028      0      0      0
MnM3     0     0     0 .08  .33   .014   .002   .028      0      0      0
SiT1 .2844 .0879 .2787      .35   .010   .003   .035      0   .004      0
SiT2 .2974 .1738 .7919      .37   .010   .003   .034  -.001   .004  -.001
O1   .1088 .0943 .1986      .50   .012   .004   .055      0   .006      0
O2   .1198 .1750 .7416      .56   .013   .006   .052      0   .006      1
OH3  .1173     0 .6948 .49  .93   .026   .007   .101      0   .007      0
F3    .195     0  .730 .51  .48
O4   .3773 .2532 .7914      .68   .020   .004   .077  -.004   .006      0
O5   .3579 .1290 .0648      .77   .016   .009   .064      0   .009   .013
O6   .3462 .1234 .5626      .85   .016   .010   .065   .002   .002  -.012
O7   .3367     0 .2875      .81   .020   .003   .131      0   .015      0
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Fluoro-leakeite
 
Oberti R, Camara F, Hawthorne F C, Ball N A
 
Mineralogical Magazine 73 (2009) 817-824
Fluoro-aluminoleakeite, NaNa2(Mg2Al2Li)Si8O22F2, a new mineral of the
amphibole group from Norra Karr, Sweden: description and crystal structure
Locality: Norra Karr, Granna, Jonkoping, Smaland, Sweden
_database_code_amcsd 0014595
9.7043 17.7341 5.2833 90 104.067 90 C2/m
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaAm   .0453    .5 .0969 .57 2.50  .0093  .0015  .0277      0  .0103      0
KAm    .0453    .5 .0969 .43 2.50  .0093  .0015  .0277      0  .0103      0
NaM4       0 .2768    .5 .99 1.07  .0035  .0007  .0123      0  .0035      0
CaM4       0 .2768    .5 .01 1.07  .0035  .0007  .0123      0  .0035      0
MgM1       0 .0875    .5 .88  .54  .0017  .0004  .0046      0  .0007      0
Fe2+M1     0 .0875    .5 .10  .54  .0017  .0004  .0046      0  .0007      0
ZnM1       0 .0875    .5 .02  .54  .0017  .0004  .0046      0  .0007      0
AlM2       0 .1792     0 .57  .46  .0013  .0004  .0043      0  .0003      0
Fe3+M2     0 .1792     0 .38  .46  .0013  .0004  .0043      0  .0003      0
Fe2+M2     0 .1792     0 .04  .46  .0013  .0004  .0043      0  .0003      0
TiM2       0 .1792     0 .01  .46  .0013  .0004  .0043      0  .0003      0
LiM3       0     0     0 .91  .94  .0029  .0006  .0093      0  .0006      0
MnM3       0     0     0 .09  .94  .0029  .0006  .0093      0  .0006      0
SiT1   .2773 .0871 .2948 .99  .38  .0012  .0003  .0034 -.0001  .0002 -.0001
AlT1   .2773 .0871 .2948 .01  .38  .0012  .0003  .0034 -.0001  .0002 -.0001
SiT2   .2895 .1725 .8068      .42  .0012  .0003  .0034 -.0001  .0002      0
O1     .1079 .0930 .2106      .62  .0013  .0006  .0055 -.0001  .0004 -.0001
O2     .1177 .1711 .7415      .60  .0014  .0005  .0057  .0001  .0001      0
F3     .1138     0 .6958 .70  .92  .0025  .0006  .0101      0  .0002      0
O3     .1138     0 .6958 .30  .92  .0025  .0006  .0101      0  .0002      0
O4     .3664 .2517 .8066      .74  .0028  .0004  .0069 -.0003  .0014 -.0002
O5     .3519 .1290 .0882      .66  .0015  .0007  .0052 -.0001  .0003  .0007
O6     .3419 .1206 .5856      .68  .0019  .0007  .0048      0  .0003 -.0006
O7     .3321     0 .3016      .86  .0025  .0004  .0113      0  .0008      0
H      .1891     0 .7501 .30 1.00
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Ferri-fluoro-leakeite
 
Camara F, Hawthorne F C, Ball N A, Bekenova G, Stepanov A V, Kotelnikov P E
 
Mineralogical Magazine 74 (2010) 521-528
Fluoroleakeite, NaNa2(Mg2Fe3+2Li)Si8O22F2, a new mineral of the amphibole group
from the Verkhnee Espe deposit, Akjailyautas Mountains, Eastern Kazakhstan
District, Kazakhstan: description and crystal structure
Note: a-cell edge corrected by author
Locality: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan
_database_code_amcsd 0015898
9.8297 17.9257 5.2969 90 103.990 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)
KA      .0307     .5  .0681 .185  .0502  .0696  .0310  .0720       0  .0603       0
NaA     .0307     .5  .0681 .315  .0502  .0696  .0310  .0720       0  .0603       0
NaM4        0 .27730     .5  .99  .0181  .0219  .0143  .0220       0  .0129       0
CaM4        0 .27730     .5  .01  .0181  .0219  .0143  .0220       0  .0129       0
MgM1        0 .08850     .5 .615 .00953 .01029 .01067 .00812       0 .00320       0
Fe2+M1      0 .08850     .5 .315 .00953 .01029 .01067 .00812       0 .00320       0
TiM1        0 .08850     .5 .070 .00953 .01029 .01067 .00812       0 .00320       0
Fe3+M2      0 .18135      0 .850 .00753 .00769 .00761 .00746       0 .00214       0
AlM2        0 .18135      0 .020 .00753 .00769 .00761 .00746       0 .00214       0
MgM2        0 .18135      0 .100 .00753 .00769 .00761 .00746       0 .00214       0
Fe2+M2      0 .18135      0 .030 .00753 .00769 .00761 .00746       0 .00214       0
LiM3        0      0      0  .66 .01039  .0130  .0084  .0093       0  .0015       0
Mn2+M3      0      0      0  .26 .01039  .0130  .0084  .0093       0  .0015       0
Fe2+M3      0      0      0  .08 .01039  .0130  .0084  .0093       0  .0015       0
SiT1   .27887 .08582 .29429 .983 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013
AlT1   .27887 .08582 .29429 .018 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013
SiT2   .28871 .17057 .80265      .00686 .00769 .00703 .00603 -.00109 .00198 -.00028
O1     .11078 .09014 .21362      .00991  .0076  .0127  .0095 -.00075 .00207  .00002
O2     .11920 .16992 .73373      .00944  .0082  .0110  .0089 -.00027 .00150 -.00015
F3     .10913      0 .70342  .78  .0151  .0154  .0129  .0162       0  .0022       0
OH3    .10913      0 .70342  .08  .0151  .0154  .0129  .0162       0  .0022       0
O3     .10913      0 .70342  .14  .0151  .0154  .0129  .0162       0  .0022       0
O4     .36339 .24943 .80227      .01171  .0156  .0085  .0120  -.0039  .0051 -.00113
O5     .34893 .12816 .08488      .01029  .0092  .0131  .0087  .00006 .00230  .00384
O6     .34229 .11962 .58347      .01056  .0104  .0130  .0082  .00027 .00213 -.00354
O7     .33426      0 .30020      .01284  .0148  .0064  .0167       0  .0027       0
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Davidlloydite
 
Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T
 
Mineralogical Magazine 76 (2012) 45-57
Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral
from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia:
description and crystal structure
Locality: Tsumeb, Namibia
_database_code_amcsd 0018665
5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 P-1
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Zn1       0     .5     .5  .6 .01224 .01425 .01053 .01178 .00005  .00126 -.00034
Cu1       0     .5     .5  .4 .01224 .01425 .01053 .01178 .00005  .00126 -.00034
Zn2  .23922 .10407 .81081     .01226 .01204 .01445 .01032 .00121 -.00006 -.00186
As   .25896 .87032 .33696     .00916 .00945 .00940 .00869 .00002  .00025 -.00125
O1    .4813  .7644  .2259      .0153  .0119  .0140  .0204  .0007   .0037  -.0045
O2    .2996  .8972  .6354      .0146  .0200  .0144  .0096  .0007  -.0011  -.0027
O3    .0271  .7464  .3144      .0128  .0103  .0120  .0157 -.0014  -.0012   .0002
O4    .1952  .0630  .1674      .0145  .0209  .0116  .0105  .0015  -.0006   .0010
O5    .2229  .4010  .2726      .0181  .0253  .0134  .0155  .0009   .0037  -.0007
O6    .2711  .5420  .7834      .0208  .0190  .0162  .0270 -.0009   .0031  -.0008
H1     .211  .2762   .245       .039
H2     .232   .453   .101       .056
H3     .413   .481   .748       .058
H4     .325   .662   .791       .059
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Carlosbarbosaite
 
Atencio D, Roberts A C, Cooper M A, Menezes L A D, Coutinho J M V,
Stirling J A R, Venance K E, Ball N A, Moffatt E, Chaves M L S C,
Brandao P R G, Romano A W
 
Mineralogical Magazine 76 (2012) 75-90
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl
niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil:
description and crystal structure
Locality: Jaguaracu, Minas Gerais, Brazil
_database_code_amcsd 0018664
14.150 10.395 7.529 90 90 90 Cmcm
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .26634 .27203    .25 .72 .0343  .0279  .0507  .0244 -.0115      0      0
Nb   .38296     .5      0 .40 .0281  .0133  .0443  .0267      0      0 -.0001
Ta   .38296     .5      0 .26 .0281  .0133  .0443  .0267      0      0 -.0001
Si   .38296     .5      0 .13 .0281  .0133  .0443  .0267      0      0 -.0001
Ti   .38296     .5      0 .11 .0281  .0133  .0443  .0267      0      0 -.0001
Al   .38296     .5      0 .05 .0281  .0133  .0443  .0267      0      0 -.0001
Fe   .38296     .5      0 .05 .0281  .0133  .0443  .0267      0      0 -.0001
Ca       .5  .0127    .25 .28  .057   .055   .051   .066      0      0      0
Nd       .5  .0127    .25 .02  .057   .055   .051   .066      0      0      0
Ce       .5  .0127    .25 .02  .057   .055   .051   .066      0      0      0
O(1)  .3622  .1709    .25      .061   .097   .062   .023  -.047      0      0
O(2)  .1633  .3780    .25      .047   .048   .058   .035  -.000      0      0
O(3)  .3020  .3571 -.0398      .035   .026   .052   .027  -.015  -.003   .008
O(4)  .3758  .4471    .25      .026   .022   .042   .015  -.001      0      0
OH       .5  .6106  .0547      .033   .027   .051   .022      0      0   .003
Wat      .5   .126  -.022      .096    .12    .10   .075      0      0  -.001
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View JMOL 3-D Structure (permalink)
 
Ianbruceite
 
Cooper M A, Abdu Y A, Ball N A, Hawthorne F C, Back M E, Tait K T, Schluter J,
Malcherek T, Pohl D, Gebhard G
 
Mineralogical Magazine 76 (2012) 1119-1131
Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from
the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0019546
11.793 9.1138 6.8265 90 103.859 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)
As1  .36080 .91756  .0952      .0189  .0380  .0106  .0089  .0004  .0073 -.0008
As2    .806   .777   .492 .048  .004
As3    .778   .686   .484 .031  .011
Zn1   .6179  .0413  .4016      .0208  .0387  .0120  .0129  .0015  .0083 -.0005
Zn2   .6059  .7591  .1490      .0235  .0398  .0198  .0124 -.0003  .0093 -.0051
O1    .4319  .7571  .0969       .017   .020   .015   .017   .004   .006   .001
Wat2  .7964  .0882  .5118       .030   .009   .045   .030  -.002  -.003   .027
O3    .2201  .8861   .081       .032   .022   .020   .054  -.002   .011  -.017
OH4   .6690  .8134  .4307       .024   .048   .011   .016  -.002   .011   .006
O5    .4267  .0110  .3102       .023   .048   .012   .010  -.000   .007  -.002
O6    .3725  .0130 -.1104       .023   .038   .023   .007  -.002   .006   .004
Wat7   .056   .987  -.203  .96   .17    .10    .11    .24   .035   -.08   -.03
Wat8   .913   .769   .585  .91   .17    .11    .13    .25   -.04   -.05   -.00
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 35
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