American Mineralogist Crystal Structure Database

9 matching records for this search.

Joelbruggerite
 
Mills S J, Kolitsch U, Miyawaki R, Groat L A, Poirier G
 
American Mineralogist 94 (2009) 1012-1017
Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite,
from the Black Pine mine, Montana
Locality: the Black Pine mine, Montana, USA
_database_code_amcsd 0004959
8.4803 8.4803 5.2334 90 90 120 P321
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   .40396      0     0     .0261  .0309  .0270  .0191  .0135 -.00121 -.0024
Sb        0      0     0 .57 .0182  .0226  .0226  .0093  .0113       0      0
Te        0      0     0 .43 .0182  .0226  .0226  .0093  .0113       0      0
Zn        0 -.2450    .5     .0248  .0215  .0333  .0158  .0107  -.0003 -.0001
As      1/3    2/3 .4738     .0215  .0188  .0188  .0270  .0094       0      0
O1    -.127 -.2180  .212      .040   .043   .043   .030   .018   -.001   .012
O2    -.202  -.460  .669      .055   .056   .055   .038   .015    .007   .000
O3      1/3    2/3 -.204      .023   .024   .024   .021   .012       0      0
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Tundrite-(Ce)
Download hom/tundritece.pdf
Grice J D, Rowe R, Poirier G, Wight Q
 
The Canadian Mineralogist 46 (2008) 413-422
Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure
analysis and species characterization
Locality: Mount Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006184
7.5760 13.9252 5.0290 99.981 70.791 100.947 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)
Ce1   .6573  .7797 .5952      .00968  .0104  .0119  .0077 .00036 -.00438 .00224
Ce2   .2195 .77840 .3119 .030 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
La2   .2195 .77840 .3119 .621 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Nd2   .2195 .77840 .3119 .229 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Pr2   .2195 .77840 .3119 .081 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Sm2   .2195 .77840 .3119 .014 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Na1       0      0   1/2       .0212   .039   .012   .014   .001    .011 -.0022
Na2   .1375  .4719 .1759 .906  .0299   .030   .032   .027  .0068  -.0083 -.0001
Ca2   .1375  .4719 .1759 .039  .0299   .030   .032   .027  .0068  -.0083 -.0001
Na3     1/2    1/2   1/2       .0286   .049   .019   .014  -.010   -.012   .003
Ti   .60840 .99963 .1957 .875  .0120  .0130  .0133  .0097  .0020  -.0037  .0008
Nb   .60840 .99963 .1957 .109  .0120  .0130  .0133  .0097  .0020  -.0037  .0008
Si    .9622 .85797 .9129       .0085  .0096  .0114  .0051  .0018  -.0029  .0008
C1    .7921  .3546 .2374       .0136   .015   .014   .013   .005   -.004   .001
C2    .6011   .652 .0601       .0125   .010   .016   .010   .001   -.001   .003
O1    .9339  .7555 .7084       .0097   .009   .011   .009  .0013  -.0034  .0012
O2    .7939  .9173 .9117       .0109   .012   .014   .007   .004   -.003 -.0007
O3    .1629  .9161 .7260       .0107   .009   .013   .009 -.0002  -.0030  .0021
O4    .9575  .8437 .2269       .0115   .013   .015   .007   .003  -.0026  .0030
O5    .4070  .9179 .0663       .0110   .012   .012   .008   .000  -.0040  .0022
O6    .5507  .9191 .4970       .0115   .015   .011   .007   .005   -.001  .0025
O7    .8718  .3811 .9889       .0212   .027   .019   .017  -.002   -.007   .009
O8    .8080  .4068 .4629       .0265   .025   .028   .021  -.001   -.009  -.010
O9    .3328  .3774 .7677       .0178   .028   .016   .013   .003   -.009   .004
O10   .4023  .3939 .1762       .0195   .026   .020   .014   .003   -.011  -.003
O11   .3072  .7334 .7463       .0143   .014   .017   .012  -.001   -.006   .003
O12   .5462  .7392 .1337       .0130   .014   .014   .011   .004   -.003   .000
OH13   .779   .781  .033  .11    .03
H5      .27    .90   .19  .07    .03
H6      .53    .86   .65  .07    .03
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Nisnite
 
Rowe R, Grice J D, Poirier G, Stanley C J, Horvath L
 
The Canadian Mineralogist 49 (2011) 651-656
Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec
Locality: Jeffrey mine, Asbestos, Quebec, Canada
_database_code_amcsd 0018385
3.7349 3.7349 3.7349 90 90 90 P4/m-32/m
atom x  y  z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   0 .5 .5 .092  .0098  .0089  .0089      0      0      0
Sn   0  0  0 .008  .0082  .0082  .0082      0      0      0
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Bussyite-(Ce)
Download hom/bussyitece.pdf
Grice J D, Rowe R, Poirier G, Pratt A, Francis J
 
The Canadian Mineralogists 47 (2009) 193-204
Bussyite-(Ce), a new beryllium silicate mineral species from Mont Saint-Hilaire, Quebec
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006285
11.6445 13.9212 16.5909 90 96.127 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)
Ce1  .14869 .25501 .39821 .412 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Nd1  .14869 .25501 .39821 .187 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Y1   .14869 .25501 .39821 .121 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Th1  .14869 .25501 .39821 .087 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Pr1  .14869 .25501 .39821 .057 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Sm1  .14869 .25501 .39821 .040 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Gd1  .14869 .25501 .39821 .039 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Eu1  .14869 .25501 .39821 .004 .01515  .0168  .0140  .0140 -.0005 -.0011 -.0005
Ca        0 .45863    .25 .764  .0205  .0199  .0228  .0186      0  .0013      0
La        0 .45863    .25 .236  .0205  .0199  .0228  .0186      0  .0013      0
Na1       0  .7389    .25  .55  .0378  .0535  .0313  .0316      0  .0174      0
Wat1      0  .7389    .25  .45  .0378  .0535  .0313  .0316      0  .0174      0
Na2   .1686  .5435  .4004  .55  .0339  .0170  .0671  .0169 -.0047 -.0007 -.0118
Wat2  .1686  .5435  .4004  .45  .0339  .0170  .0671  .0169 -.0047 -.0007 -.0118
Na3   .1725  .9802  .4124  .55  .0453  .0361  .0530  .0476  .0026  .0081  .0290
Wat3  .1725  .9802  .4124  .45  .0453  .0361  .0530  .0476  .0026  .0081  .0290
Na4   .1874  .2469 -.0382  .25  .0566   .076   .030   .068  -.006   .025   .000
Wat4  .1874  .2469 -.0382  .45  .0566   .076   .030   .068  -.006   .025   .000
Mn        0 .07534    .25 .485  .0342  .0259  .0477  .0280      0 -.0016      0
Na        0 .07534    .25 .402  .0342  .0259  .0477  .0280      0 -.0016      0
Mg        0 .07534    .25 .012  .0342  .0259  .0477  .0280      0 -.0016      0
Si1  .20532 .90024 .23466       .0276  .0315  .0261  .0243  .0003 -.0007 -.0029
Si2   .0815  .1056  .0615 .463  .0154  .0164  .0140  .0156  .0007 -.0007  .0025
Be2   .0815  .1056  .0615 .537  .0153  .0164  .0140  .0156  .0007 -.0007  .0025
Si3  .08092 .60954 .08162       .0280  .0291  .0292  .0247 -.0063 -.0020  .0024
Si4  .16350 .25345 .17442       .0235  .0251  .0228  .0213 -.0014 -.0033 -.0015
Si5   .0919  .8886  .0736 .640  .0142  .0236  .0036  .0153  .0012  .0011 -.0001
Si5a  .0521  .8108  .0873 .209   .026   .027   .036   .020   0005  -.003  -.007
Be5a  .0521  .8108  .0873 .151   .026   .027   .030   .020   .005  -.003  -.007
Be6   .2523  .6025  .2191  .94   .010   .010   .007   .016   .003   .009  -.000
Si6   .2523  .6025  .2191  .06   .010   .010   .007   .016   .003   .009  -.000
Be7   .0479  .4041  .0780  .96   .018   .011   .012   .030   .000   .005  -.004
Si7   .0479  .4041  .0780  .04   .018   .011   .012   .030   .000   .005  -.004
O1    .3177  .8954  .1852       .0179   .020   .016   .020   .004   .009  -.002
O2    .1794  .0027  .2720       .0200   .023   .016   .023   .005   .011  -.003
O3    .0892  .8687  .1721       .0237   .017   .032   .021  -.006  -.005  -.006
O4    .2810  .3196  .1906       .0230   .029   .020   .018  -.012  -.006  -.008
O5   -.0272  .1084  .1110       .0146   .014   .017   .013  -.004   .003  -.001
O6    .0448  .1292 -.0358       .0242   .023   .033   .017   .011  -.002  -.000
O7    .1806  .1820  .0987       .0238   .026   .023   .023  -.001   .004  -.006
O8    .1414  .9996  .0602       .0364   .047   .027   .036   .006   .014  -.003
O9   -.0053  .6925  .1138       .0420   .059   .033   .034   .019   .006  -.002
O10   .2131  .6250  .1206       .0153   .011   .022   .011  -.007  -.004   .005
O11   .0713  .6199 -.0168       .0240   .031   .034   .005  -.012  -.004   .005
O12   .0320  .5091  .1132       .0214   .027   .013   .024  -.005  -.000  -.000
O13   .0504  .3220  .1512       .0186   .015   .020   .020  -.000  -.000   .000
O14   .1547  .1909  .2557       .0130   .018   .013   .007  -.002  -.002   .003
O15   .3278  .3109  .4643       .0185   .018   .022   .014  -.002  -.008   .007
F16   .1390  .6014  .2656       .0372   .037   .029   .046  -.002   .008  -.001
F17   .1620  .3990  .0303       .0460   .040   .055   .042   .002   .004   .008
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Pb3Fe2(PO4)4(H2O)
 
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R,
Matsubara S, Tillmanns E
 
European Journal of Mineralogy 22 (2010) 595-604
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure
with double-strand chains
Locality: synthetic
T = 220 C
_database_code_amcsd 0017730
9.0440 9.0440 16.766 90 90 90 P4_12_12
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Pb1  .13213 .13213      0     .01348  .0132  .0132  .0140 -.0026 .00283 -.00283
Pb2  .07837 .34364 .26523     .02156  .0256  .0270  .0121 -.0060 -.0006   .0007
Fe    .5003 .25894 .12075      .0047  .0040  .0066  .0033 -.0003  .0001  -.0004
P1    .2283  .4920 .07791      .0069  .0059  .0114  .0034  .0021  .0008  -.0007
P2    .4681  .2687 .31889      .0074  .0139  .0021  .0063 -.0022  .0008   .0001
O1    .5226  .2219  .2380       .017   .021   .025   .004  -.002   .001   -.001
O2    .1025  .3816  .0675      .0143   .008   .017   .018  -.004  -.002   -.006
O3    .3401  .3772  .3149       .018   .027   .012   .015   .011   .004    .000
O4    .3589  .4244  .1252      .0102   .009   .012   .009   .007  -.006   -.003
O5    .0960  .1684  .3809      .0106   .010   .014   .008   .009   .002    .002
O6    .4234  .1281  .3665      .0074   .011   .006   .005  -.001   .000    .003
O7    .2169  .0449  .2528      .0157   .016   .025   .006   .001   .004    .005
O8    .3245  .1219  .1190       .013   .009   .010   .018  -.007  -.002    .003
Wat   -.150   .082  .2375  .5   .010
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Arisite-(La)
 
Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
Rowe R, Gault R A, Poirier G
 
Mineralogical Magazine 74 (2010) 257-268
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
Locality: Aris, Namibia
Note: x-coordinate of O1 adjusted to special position
_database_code_amcsd 0014599
5.1131 5.1131 8.6759 90 90 120 P-6m2
atom    x    y      z occ Uiso
Na      0    0      0     .014
La    2/3  1/3 .72574 .45 .011
Ce    2/3  1/3 .72574 .42 .011
Nd    2/3  1/3 .72574 .04 .011
Pr    2/3  1/3 .72574 .01 .011
Sm    2/3  1/3 .72574 .01 .011
Ca    2/3  1/3 .72574 .07 .011
C1    1/3  2/3   .804     .012
O1   .628 .814  .8013     .019
F     2/3  1/3      0     .032
C2      0    0     .5 .63 .044
O2   .847 .153     .5 .63 .025
F2   .847 .153     .5 .24 .025
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Arisite-(Ce)
 
Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U,
Rowe R, Gault R A, Poirier G
 
Mineralogical Magazine 74 (2010) 257-268
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
Locality: Aris, Namibia
Note: x-coordinate of O1 adjusted to special position
_database_code_amcsd 0014600
5.1109 5.1109 8.6713 90 90 120 P-6m2
atom     x     y      z occ Uiso
Na       0     0      0     .013
Ce     2/3   1/3 .72542 .47 .012
La     2/3   1/3 .72542 .40 .012
Pr     2/3   1/3 .72542 .02 .012
Nd     2/3   1/3 .72542 .05 .012
Sm     2/3   1/3 .72542 .01 .012
Ca     2/3   1/3 .72542 .05 .012
C1     1/3   2/3   .805     .013
O1   .6252 .8126  .8013     .017
F      2/3   1/3      0     .031
C2       0     0     .5 .70 .033
O2   .8475 .1525     .5 .70 .026
F2   .8475 .1525     .5 .20 .026
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Hydroniumpharmacosiderite
 
Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A
 
Mineralogical Magazine 74 (2010) 863-869
Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup
from Cornwall, UK: structure and description
Locality: Cornwall, UK
_database_code_amcsd 0017882
7.9587 7.9587 7.9587 90 90 90 P-43m
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        .5     .0     .5 .13  .046
Fe   .14345 .14345 .14345     .0123  .0123  .0123  .0123 -.0016 -.0016 -.0016
As       .5     .0     .0     .0208  .0070  .0277  .0277      0      0      0
O1    .1245  .1245  .3837     .0265  .0338  .0338  .0118  -.008 -.0004 -.0004
O2    .8857  .8857  .8857     .0116  .0116  .0116  .0116 -.0023 -.0023 -.0023
Wat3     .5   .106     .5 .25  .050
Wat4   .693   .693   .693 .25  .047
H3O4   .693   .693   .693 .45  .047
O4     .693   .693   .693 .15  .047
H2    .8283  .8283  .8283      .014
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Auriacusite
Download hom/auriacusite.pdf
Mills S J, Kampf A R, Poirier G, Raudsepp M, Steele I M
 
Mineralogy and Petrology 99 (2010) 113-120
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group,
from the Black Pine mine, Montana, USA
Locality: Black Pine mine, Montana, USA
_database_code_amcsd 0014650
8.6235 8.2757 5.9501 90 90 90 Pnnm
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM   .1188 .1373    .5 .55 .0157  .0089  .0064  .0318  .0000      0      0
CuM   .1188 .1373    .5 .45 .0157  .0089  .0064  .0318  .0000      0      0
Cu        0    .5 .2491     .0054  .0081  .0059  .0021  .0024      0      0
As    .2510 .2630     0     .0054  .0055  .0043  .0064  .0006      0      0
O1A    .401  .396 -.051 .25  .001
O1B    .387  .404  .078 .25  .001
O2    .0827 .3667     0     .0056
O3    .2670 .1480  .231      .026
O4   -.0971 .6243    .5     .0035
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Total number of retrieved datasets: 9
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