American Mineralogist Crystal Structure Database

15 matching records for this search.

Moctezumite
Download hom/moctezumite.pdf
Swihart G H, Sen Gupta P K, Schlemper E O, Back M E, Gaines R V
Download am/vol78/AM78_835.pdf
American Mineralogist 78 (1993) 835-839
The crystal structure of moctezumite [PbUO2](TeO3)2
_database_code_amcsd 0001608
7.813 7.061 13.775 90 93.71 90 P2_1/c
atom     x     y      z Biso
U    .0502 .1564 .80919  .71
Pb   .5642 .1241 .32911 1.23
Te1  .3500 .1855  .0450  .79
Te2  .8158 .1669  .5806  .78
O1    .161  .856   .146  1.4
O2    .296  .447   .036  1.4
O3    .739  .825   .237  1.6
O4    .615  .346   .143  1.5
O5    .485  .820   .043  1.4
O6    .934  .526   .155  1.6
O7    .925  .166   .181  1.5
O8    .832  .884   .042  1.9
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Nezilovite
 
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005518
5.849 5.849 22.809 90 90 120 P6_3/mmc
atom     x      y      z occ Biso
Pb     2/3    1/3    .25      7.5
AlM1     0      0      0       .6
FeM2     0      0  .2590 .18   .2
TiM2     0      0  .2590 .22   .2
MnM2     0      0  .2590 .10   .2
ZnM3   1/3    2/3  .0272 .95   .5
MnM4   2/3    1/3 -.1893 .29   .5
FeM4   2/3    1/3 -.1893 .71   .5
MnM5 .1677  .3354 -.1063 .29   .2
FeM5 .1677  .3354 -.1063 .71   .2
O1       0      0  .1512      2.1
O2     1/3    2/3 -.0598       .6
O3    .361  .1805    .75      3.1
O4    .145   .290  .0523       .8
O5   .5024 -.5024  .3511      1.1
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Magnetoplumbite
Download hom/magnetoplumbite.pdf
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005519
5.902 5.902 23.185 90 90 120 P6_3/mmc
atom      x     y      z occ Biso
Pb      2/3   1/3    .25 .98  7.4
Ba      2/3   1/3    .25 .02  7.4
FeM1      0     0      0 .75   .3
MgM1      0     0      0 .25   .3
FeM2      0     0  .2587  .5   .6
MnM3    1/3   2/3  .0262 .45   .7
FeM3    1/3   2/3  .0262 .55   .7
SbM4    2/3   1/3 -.1895 .29   .6
FeM4    2/3   1/3 -.1895 .71   .6
MnM5 .16675 .3335 -.1076 .15   .6
FeM5 .16675 .3335 -.1076 .85   .6
O1        0     0  .1523      1.6
O2      1/3   2/3 -.0585       .8
O3     .375 .1875    .75       .9
O4    .1505  .301  .0532       .7
O5     .503 -.503  .3490       .9
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Hibonite
Download hom/hibonite.pdf
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005520
5.613 5.613 22.285 90 90 120 P6_3/mmc
atom     x      y      z occ Biso
Ca     2/3    1/3    .25 .85  2.8
Ce     2/3    1/3    .25 .06  2.8
La     2/3    1/3    .25 .03  2.8
Nd     2/3    1/3    .25 .01  2.8
Mg     2/3    1/3    .25 .05  2.8
AlM1     0      0      0       .5
AlM2     0      0  .2379  .5  1.1
FeM3   1/3    2/3  .0271 .15   .7
MgM3   1/3    2/3  .0271 .24   .7
AlM3   1/3    2/3  .0271 .61   .7
SiM4   2/3    1/3 -.1889 .03   .8
TiM4   2/3    1/3 -.1889 .25   .8
AlM4   2/3    1/3 -.1889 .72   .8
AlM5 .1679  .3358 -.1071       .4
O1       0      0  .1481       .7
O2     1/3    2/3 -.0565       .8
O3    .362   .181    .75      2.3
O4   .1531  .3063  .0520      1.0
O5   .5043 -.5043  .3508       .9
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Walfordite
Download hom/walfordite.pdf
Back M E, Grice J D, Gault R A, Criddle A J, Mandarino J A
Download cm/vol37/CM37_1261.pdf
The Canadian Mineralogist 37 (1999) 1261-1268
Walforite, a new tellurite species from the Wendy Open Pit, El Indio-Tambo
Mining Property, Chile
Locality: Wendy Open Pit, El Indio-Tambo Mining Property, Chile
_database_code_amcsd 0005629
11.011 11.011 11.011 90 90 90 I2_1/a-3
atom      x     y     z occ  Uiso
Fe        0     0     0 .59 .0114
Te        0     0     0 .28 .0114
Ti        0     0     0 .08 .0114
Mg        0     0     0 .05 .0114
Te   .21099     0   1/4     .0197
O1    .4361 .1335 .3962     .0248
O2    .1725 .1725 .1725     .0213
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Sn6SiO8
 
Locock A J, Ramik R A, Back M E
Download cm/vol44/CM44_1457.pdf
The Canadian Mineralogist 44 (2006) 1457-1467
The structures of two novel Sn2+ oxysalts found with romarchite and
hydroromarchite as corrosion products of pewter artifacts
_database_code_amcsd 0006130
7.3742 7.3742 11.9598 90 90 120 P6_3mc
atom      x      y      z   Uiso
Sn1  .82637 .17363 .59214 .03065
Sn2  .49272 .50728 .85203 .02947
Si      1/3    2/3  .5963  .0146
O1    .4547  .9094  .5477  .0275
O2      1/3    2/3  .7307   .024
O3      2/3    1/3  .6177  .0118
O4    .1946  .3891  .9208  .0167
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Sn6SiO8(OH2)
 
Locock A J, Ramik R A, Back M E
Download cm/vol44/CM44_1457.pdf
The Canadian Mineralogist 44 (2006) 1457-1467
The structures of two novel Sn2+ oxysalts found with romarchite and
hydroromarchite as corrosion products of pewter artifacts
_database_code_amcsd 0006131
14.0071 12.5016 14.5030 90 90 90 Pbca
atom      x      y      z occ   Uiso
Sn1  .01749 .82313 .33891     .02042
Sn2  .01109 .67521 .54400     .02078
Sn3  .26344 .83072 .45157     .02085
Sn4  .25365 .82371 .16166     .01995
Sn5  .38223 .59124 .45298     .02045
Sn6  .39966 .58021 .15603     .02378
S    .14065 .57227 .18255      .0194
O1    .1286  .4669  .1349      .0271
O2    .2167  .6332  .1284      .0282
O3    .0520  .6293  .1814      .0354
O4    .1773  .5560  .2772      .0395
O5    .3845  .7443  .1898      .0147
OH6   .0451  .6519  .3851      .0204
OH7   .3796  .7455  .3750      .0170
O8   -.0107  .8227  .4791      .0173
O9    .3855  .6096  .0145      .0178
O10   .2753  .8156  .0202      .0174
SnA1 -.0160  .6752  .6624 .09  .0249
SnA2  .2188  .8243  .3384 .09  .0318
SnA3  .3337  .5807  .3428 .09  .0258
SnA4  .2262  .8250  .0423 .09  .0280
SnA5  .3575  .5908  .0471 .09  .0264
SnA6 -.0263  .8322  .4521 .09   .028
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Yofortierite
Download hom/yofortierite.pdf
Hawthorne F C, Abdu Y A, Tait K T, Back M E
 
The Canadian Mineralogist 51 (2013) 243-251
The crystal structure of yofortierite
Locality: Poudrette Quarry, Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0019873
14.1686 17.8583 5.2919 90 105.878 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   .29667 .41441 .02119      .0139  .0204  .0104  .0120 -.0012  .0064 -.0003
Si2   .29544 .33245 .52172      .0150  .0233  .0110  .0112 -.0015  .0056 -.0010
Mn1       .5     .5      0  .57 .0147  .0209  .0132  .0108      0  .0059      0
Mg1       .5     .5      0  .43 .0147  .0209  .0132  .0108      0  .0059      0
Al2       .5 .41128     .5 .005 .0171  .0194  .0208  .0115      0  .0051      0
Ti2       .5 .41128     .5  .01 .0171  .0194  .0208  .0115      0  .0051      0
Fe2       .5 .41128     .5  .11 .0171  .0194  .0208  .0115      0  .0051      0
Mn2       .5 .41128     .5 .635 .0171  .0194  .0208  .0115      0  .0051      0
Zn2       .5 .41128     .5 .055 .0171  .0194  .0208  .0115      0  .0051      0
Mg2       .5 .41128     .5 .015 .0171  .0194  .0208  .0115      0  .0051      0
Ca3       .5 .31362      0  .09 .0183  .0229  .0192  .0124      0  .0040      0
Mn3       .5 .31362      0  .63 .0183  .0229  .0192  .0124      0  .0040      0
Mg3       .5 .31362      0  .28 .0183  .0229  .0192  .0124      0  .0040      0
O1    .41446 .40991  .1074      .0177  .0211  .0160  .0171 -.0013  .0070 -.0020
O2     .4124 .33161  .6084      .0238  .0258  .0303  .0155  .0051  .0058 -.0031
O3       .25    .25     .5      .0316   .058  .0134   .025 -.0124  .0132 -.0017
O4     .5754     .5  .3966  .67 .0208  .0252  .0191  .0189      0  .0075      0
Wat4   .5754     .5  .3966  .33 .0208  .0252  .0191  .0189      0  .0075      0
O5     .2572     .5  .0070      .0212  .0272  .0131  .0236      0  .0076      0
O6    .25093 .37121  .2329      .0190  .0242  .0183  .0155 -.0003  .0074  .0047
O7     .2514 .37756  .7334      .0200  .0263  .0201  .0141 -.0021  .0066 -.0053
Wat8   .4065  .2306  .1033      .0506   .052   .052   .047 -.0185  .0121  .0045
Wat9   .5776      0   .276  .82  .160   .128   .145    .25      0   .122      0
Wat10     .5  .1261     .5  .82  .088   .089   .074   .085      0  -.003      0
H      .6472     .5   .456  .67   .07
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Peatite-(Y)
 
McDonald A M, Back M E, Gault R A, Horvath L
 
The Canadian Mineralogist 51 (2013) 569-596
Peatite-(Y) and ramikite-(Y), two new Na-Li-YZr phosphate-carbonate
minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0020055
11.167 11.164 11.162 90 90 90 P222
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1   .3068  .1936  .3063  .028   .027   .030   .028  -.010   .011  -.013
Na1   .5090  .6676 -.1675 .0277   .032   .025   .025   .006  -.006  -.006
Na2  -.1676  .3324  .4908 .0275   .024   .025   .033  .0055   .006   .006
Na3  -.1678  .0089  .1676 .0277   .024   .034   .025  -.007 -.0049   .005
Y1       .5      0 .18821 .0110  .0098  .0102  .0132 -.0015      0      0
Y2       .5 .31194     .5 .0116  .0103  .0136  .0109      0  .0017      0
Y3   .18746      0     .5 .0136  .0155  .0128  .0126      0      0 -.0019
Y4   .24776     .5      0 .0123  .0147  .0110  .0112      0      0  .0004
Y5        0 .25197      0 .0120  .0100  .0150  .0110      0 -.0004      0
Y6        0     .5 .24806 .0120  .0098  .0109  .0152  .0007      0      0
P1    .3156  .8156 -.0111 .0181  .0164  .0167  .0213 -.0028 -.0001 -.0004
P2    .3158  .4887  .3156 .0178  .0160  .0208  .0167 -.0011 -.0028 -.0009
P3   -.0113 -.1843  .3157 .0183  .0200  .0172  .0177 -.0005 -.0007 -.0028
C1    .3797  .8808  .3802  .022   .022   .023   .020   .001   .003   .003
O1    .3589  .6354  .6412  .036   .034   .037   .036  -.007   .009   .007
O2    .3454  .3180 -.0008 .0280   .027   .017   .040   .001   .001   .001
O3    .1820  .8452  .0004 .0287   .018   .028   .040  -.001   .000  -.001
O4    .1820  .5003  .3451 .0284   .017   .041   .026   .003  -.002  -.001
O5    .3453  .5011  .1820 .0281   .027   .041   .016   .000   .000   .001
O6    .3590  .8589 -.1356  .035   .034   .036   .035  -.009   .008   .007
O7    .3808  .5897  .3818  .036   .038   .046   .039  -.012  -.008  -.013
O8    .3806  .8812  .0886  .041   .034   .034   .040  -.007  -.013  -.013
O9    .0006  .3176  .6546 .0292   .042   .018   .027   .001   .002   .000
O10   .0005 -.1544  .1824 .0284   .040   .027   .018   .004   .000   .000
O11  -.1352 -.1412  .3586  .037   .037   .037   .037   .007   .007  -.009
O12   .0900 -.1189  .3811  .043   .050   .041   .040  -.016  -.015  -.004
O13   .5236 1.1650  .3351  .027   .025   .028   .027   .006  -.006  -.006
O14   .6659  .1654  .4764  .028   .029   .029   .028   .006  -.007  -.007
O15   .3344  .9761  .3345  .028   .029   .026   .028   .006   .006   .007
F1    .1180  .3824  .1176  .027   .027   .025   .030   .000   .001  -.002
F2   -.1095  .3904  .1100  .027   .025   .030   .026   .009  -.009  -.009
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Ramikite-(Y)
 
McDonald A M, Back M E, Gault R A, Horvath L
 
The Canadian Mineralogist 51 (2013) 569-596
Peatite-(Y) and ramikite-(Y), two new Na-Li-YZr phosphate-carbonate
minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0020056
10.9977 10.9985 10.9966 90.074 89.984 89.969 P1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1    -.03   .323  1.151  .021    .03   .010   .026   .011   .015   .024
Li2    .969  -.308   .520  .021    .03   .017   .019  -.020  -.012   .020
Li3    .339   .321   .524  .028    .03   .019    .04   -.03   .028  -.019
Li4    .344   .698  1.146  .033    .04   .006    .05   .028   -.04  -.013
Na1   .8197  .4962  .6671  .022   .020   .022   .026  -.005  -.002   .007
Na2   .8196 -.4810 1.0049  .022   .020   .019   .027   .006   .003   .008
Na3   .4829  .5186  .6685  .022   .023   .021   .023  -.004   .001  -.005
Na4   .8200 -.1607 1.3259  .023   .017   .022   .030  -.003  -.006   .008
Na5   .8191  .1760 1.3474  .024   .020   .019   .032   .004   .007   .007
Na6   .1394 -.1608 1.0053  .023   .031   .016   .022   .007  -.006  -.002
Na7  1.4832  .1750  .3277  .023   .022   .020   .027  -.001   .004  -.003
Na8   .1607  .1754 1.0040  .023   .025   .019   .027   .004   .004   .004
Na9   .4830 -.5019 1.0037  .022   .022   .023   .022   .003  -.001  -.004
Na10  .1620 -.1613 -.3328  .022   .025   .020   .022  -.005  -.004   .002
Na11  .1407  .1758  .6685  .023   .019   .024   .027  -.008   .006   .000
Na12  .4827 -.1602 1.3459  .023   .024   .018   .027   .001  -.003  -.004
Y1   1.1535 -.1752  .3362 .0176  .0166  .0159  .0203 -.0001  .0005  .0006
Y2    .4695  .5077 1.3367 .0096  .0107  .0073  .0108 -.0008  .0000 -.0006
Y3    .1518  .5080 1.0190 .0127  .0120  .0093  .0169  .0013  .0002  .0007
Y4    .8354  .5073 1.3366 .0211  .0218  .0176  .0240 -.0005  .0017  .0034
Y5   1.1519  .1902  .3369 .0148  .0124  .0152  .0166 -.0011  .0018  .0020
Y6    .1521  .5073  .6536 .0190  .0162  .0162  .0246 -.0024  .0016  .0022
Zr1   .4196  .0076  .8368 .0097  .0106  .0072  .0114 -.0014  .0006  .0008
Zr2   .6509  .0073  .6054 .0101  .0080  .0065  .0159 -.0008  .0005  .0019
Zr3   .6507  .2389  .8370 .0099  .0077  .0107  .0114 -.0009  .0008  .0016
Zr4   .8821  .0074  .8367 .0098  .0116  .0062  .0117 -.0001  .0002  .0018
Zr5   .6508 -.2238  .8365 .0097  .0082  .0098  .0111  .0003  .0004  .0017
Zr6   .6508  .0076 1.0681 .0097  .0077  .0064  .0149 -.0003  .0007  .0013
P1    .6368 -.3012 1.1456 .0124   .011   .010   .016   .000  -.001  .0024
P2    .9594  .3162  .8515 .0144   .013   .012   .018  -.001   .000   .002
P3    .3420  .6984  .8509 .0128   .012   .010   .017  -.002   .001   .001
P4    .3422  .0224  .5274 .0126   .012   .010   .016   .000 -.0024  .0017
P5    .6364  .3166  .5275 .0137   .012   .012   .018  -.001   .000   .001
P6    .3417 -.0072 1.1461 .0119   .012   .010   .014   .000   .001  .0011
P7    .9599 -.3008  .8211 .0128   .012   .011   .015   .000   .001  .0015
P8    .3421  .3167  .8215 .0122   .013   .008   .015   .002   .002  .0022
P9    .9598  .0229 1.1451 .0129   .011   .010   .017  -.001   .001  .0024
P10   .6670  .6987  .5269 .0123   .013   .010   .014   .000 -.0004  .0006
P11   .9591 -.0083  .5277 .0140   .012   .013   .017  -.003   .002  .0023
P12   .6667  .3171 1.1460 .0116   .011   .008   .016   .000   .002  .0003
C1    1.034  .3890  .4538  .014   .014   .009   .020   .003  -.004   .001
C2    1.033 -.3755  .2175  .014   .015   .008   .019  -.006   .004  -.001
C3     .270  .3889 1.2186  .014   .008   .014   .020  -.003  -.001   .006
C4    1.271 -.3738  .4543  .013   .019   .009   .012   .007   .004   .006
O1    .7926  .3564 1.1874  .020   .016   .016   .030  -.006  -.006   .002
O2     .314  .0096  .6661  .017   .018   .018   .016  -.007   .007   .006
O3   1.0301 -.3704  .9194  .030   .031   .027   .031   .000  -.012   .016
O4    .3188  .3440 1.3149  .022   .027   .017   .022  -.009  -.002   .009
O5     .650  .3456  1.010  .024   .011   .019   .041  -.001  -.002  -.006
O6    .3194  .5291 1.5026  .019   .020   .011   .026   .006   .007   .005
O7    .3182  .6715 1.3577  .019   .020   .019   .018   .007   .008   .007
O8    .3197  .4856 1.1698  .020   .020   .010   .030  -.004  -.005   .010
O9     .479  .0074  .5005  .018   .022   .019   .015   .006   .007   .001
O10    .648  .1790  .5000  .016   .019   .011   .019   .003  -.001  -.001
O11    .312 -.1618  .8392  .020   .022   .010   .027   .000   .002   .008
O12    .314  .1790  .8381  .019   .020   .016   .022  -.003   .006   .010
O13  1.0294  .0894  .4594  .031   .035   .016   .042  -.014   .002   .017
O14   .5098  .6560 1.1884  .023   .019   .026   .026  -.016   .014  -.003
O15   .5103  .3591 1.4831  .022   .011   .020   .034   .009  -.009  -.004
O16   .5709  .3882 1.2167  .028   .019   .024   .041   .009   .016   .005
O17   .5716  .6270 1.4570  .029   .023   .026   .039  -.017  -.012   .006
O18    .479  .3462  .8376  .019   .024   .013   .019  -.001  -.006  -.003
O19   .8222  .3436  .8386  .014   .007   .012   .022   .003  -.005  -.004
O20    .646  .3451  .6664  .017   .020   .017   .013   .004  -.001   .004
O21    .988  .0092 1.0099  .020   .021   .021   .017   .001  -.003  -.005
O22    .988 -.1663  .8370  .017   .021   .007   .023   .004  -.004  -.005
O23   .9864  .1809  .8385  .015   .013   .008   .025   .000  -.003  -.004
O24    .649 -.3290  .6634  .016   .026   .017   .006  -.006   .000   .010
O25   .8231 -.3284  .8367  .017   .006   .021   .026  -.007   .004   .007
O26    .646 -.3302 1.0098  .020   .024   .018   .019  -.002   .006  -.003
O27  1.1304 -.3281  .1697  .020   .012   .018   .029  -.009   .009  -.011
O28   .9869 -.3252  .3136  .018   .022   .008   .023  -.010   .005   .003
O29  1.3008 -.1336  .1878  .023   .026   .015   .028  -.009  -.001   .011
O30  1.2747 -.0773  .4598  .030   .033   .023   .036  -.019   .001  -.013
O31    .480  .0086 1.1744  .021   .022   .020   .023  -.009  -.004   .001
O32   .8221  .0094 1.1746  .018   .006   .015   .034  -.005   .003   .003
O33    .648 -.1642 1.1744  .018   .022   .008   .024  -.007  -.001   .001
O34  -.0137  .5293 1.1685  .019   .023   .013   .021  -.004   .003  -.004
O35   .1742  .3419 1.1692  .021   .015   .022   .028  -.003   .000   .012
O36   .3001  .6568  .9781  .021   .025   .023   .016  -.004   .008   .006
O37   .2714  .3869  .9202  .028   .019   .027   .039  -.007   .012  -.014
O38   .0029  .3582  .9764  .022   .025   .016   .024  -.008  -.009  -.002
O39   .9867  .3394 1.3593  .020   .024   .015   .021   .011  -.003   .001
O40   .9872  .4847 1.5035  .016   .014   .014   .021   .006  -.004  -.005
O41  1.1296  .3405  .5023  .019   .014   .016   .026   .001  -.002  -.007
O42   .2736  .6286  .7503  .029   .031   .018   .038   .001  -.010  -.005
O43    .479 -.3309  .8382  .022   .011   .025   .031   .000   .007   .006
O44  1.0278 -.0765  .2131  .028   .028   .020   .036   .005  -.002   .018
O45  1.2728  .0919  .2151  .025   .026   .018   .032   .010   .003  -.008
O46  1.0285  .3845  .7518  .031   .035   .027   .029  -.001   .011   .015
O47  1.2999  .1485  .4845  .021   .017   .012   .034   .004   .004   .010
O48   .7358  .3835 1.4606  .030   .021   .033   .034  -.015   .013   .005
O49   .0028  .6580  .6947  .021   .025   .017   .022   .003   .008  -.002
O50   .3012  .3574  .6949  .022   .019   .023   .023   .001  -.003   .010
O51  1.0023  .1479  .1885  .024   .032   .014   .026  -.008  -.002  -.008
O52   .7928  .6578 1.4858  .019   .015   .016   .026   .003   .007   .000
O53   .8242  .0070  .4999  .015   .012   .013   .022   .007   .000   .001
O54    .312  .0076 1.0076  .021   .015   .017   .030  -.004  -.004   .004
O55  1.0019 -.1340  .4857  .020   .017   .015   .027   .001   .007  -.002
O56    .649  .8326  .4986  .022   .014   .020   .031   .003  -.001   .005
O57    .649  .1797 1.1735  .014   .024   .006   .013  -.003   .001   .000
O58  1.1752 -.3272  .5018  .019   .019   .010   .027   .003   .009   .008
O59   .9870  .0067  .6624  .017   .023   .019   .009   .004  -.003  -.002
O60   .7367 -.3679 1.2111  .028   .021   .027   .035   .007  -.016   .004
O61    .755  -.096   .733  .031   .031   .028   .035  -.020  -.019   .028
O62    .554 -.0897  .9371  .025   .028   .020   .027   .007  -.008  -.009
O63    .551  .1078  .7356  .028   .029   .034   .021  -.012   .013  -.012
O64    .754   .109   .939  .033   .033   .030   .036   .023   .026   .020
OH65   .530  -.115   .714  .041   .044   .027   .053   .027   .033   .030
OH66  .7753  .1332  .7127  .024   .017   .018   .036   .006  -.016  -.014
OH67   .529   .131   .959  .048   .042   .046   .055  -.036  -.033   .030
OH68   .774 -.1166   .961  .032   .026   .027   .045  -.018   .024  -.017
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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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Khinite
Download hom/khinite.pdf
Cooper M A, Hawthorne F C, Back M E
 
Mineralogical Magazine 72 (2008) 763-770
The crystal structure of khinite and polytypism in khinite and parakhinite
Locality: the Empire mine, Tombstone, Arizona, USA
_database_code_amcsd 0014583
5.7491 10.0176 24.022 90 90 90 Fdd2
atom      x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb      .25   .25 .14110 .01294  .0140  .0100  .0148 -.0009      0      0
Te       .5     0 .23761  .0072  .0130  .0007  .0079 -.0018      0      0
Cu(1)     0     0 .29395  .0082  .0067  .0059  .0119 -.0031      0      0
Cu(2)   .25   .25 .29509  .0052  .0033  .0044  .0079 -.0002      0      0
Cu(3)   .75   .25 .23861  .0089  .0149  .0031  .0088 -.0043      0      0
OH(1)  .153 .1158  .3466   .010
O(2)   .615 .1266  .1834   .009
O(3)  .2002 .1007  .2401   .009
O(4)  .6278 .1221  .2931   .012
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Khinite-4O
Download hom/khinite4o.pdf
Cooper M A, Hawthorne F C, Back M E
 
Mineralogical Magazine 72 (2008) 763-770
The crystal structure of khinite and polytypism in khinite and parakhinite
Locality: the Empire mine, Tombstone, Arizona, USA
Note: This is the original khinite, now distinguished as the -4O polytype
_database_code_amcsd 0014584
5.7491 10.0176 24.022 90 90 90 Fdd2
atom      x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb      .25   .25 .14110 .01294  .0140  .0100  .0148 -.0009      0      0
Te       .5     0 .23761  .0072  .0130  .0007  .0079 -.0018      0      0
Cu(1)     0     0 .29395  .0082  .0067  .0059  .0119 -.0031      0      0
Cu(2)   .25   .25 .29509  .0052  .0033  .0044  .0079 -.0002      0      0
Cu(3)   .75   .25 .23861  .0089  .0149  .0031  .0088 -.0043      0      0
OH(1)  .153 .1158  .3466   .010
O(2)   .615 .1266  .1834   .009
O(3)  .2002 .1007  .2401   .009
O(4)  .6278 .1221  .2931   .012
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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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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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Total number of retrieved datasets: 15
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