American Mineralogist Crystal Structure Database

7 matching records for this search.

Georgeericksenite
Download hom/georgeericksenite.pdf
Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A
Download am/vol83/AM83_390.pdf
American Mineralogist 83 (1998) 390-399
Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
Chacabuco, Chile: Description and crystal structure
_database_code_amcsd 0001978
23.645 10.918 15.768 90 114.42 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  .1223    .25   .016   .014   .014      0   .002      0
Mg        .5  .1056    .25   .023   .012   .013      0   .011      0
Na1    .1379  .1783  .1780   .029   .028   .025  -.001   .013   .003
Na2    .1228  .3922  .3304   .026   .022   .022  -.003   .005   .001
Na3    .3777  .1291  .0189   .030   .033   .037      0   .012  -.004
I1    .12628 .11870 .49298  .0164  .0153  .0143  .0018  .0038  .0007
I2    .00440 .37451 .08827  .0149  .0137  .0111 -.0009  .0053 -.0008
I3    .36796 .15586 .29555  .0177  .0181  .0175 -.0003  .0069  .0041
Cr     .4843  .3465  .0852   .016   .012   .013  -.001   .004   .001
O1     .3272  .2589  .4317   .022   .024   .018  -.003   .004  -.005
O2     .1789  .0616  .4456   .027   .035   .031  -.001   .014   .011
O3     .0786  .2143  .3950   .019   .016   .015   .005   .000   .003
O4     .0511  .2896  .1928   .014   .027   .011   .004   .002   .004
O5     .0336  .4799  .3624   .015   .027   .015   .006   .004  -.004
O6     .0630  .4704  .0767   .013   .024   .026  -.001   .005  -.007
O7     .3272  .2846  .2247   .043   .022   .024   .003   .007   .023
O8     .3081  .0427  .2601   .023   .053   .055   .026   .001  -.009
O9     .4075  .0991  .2278   .032   .041   .017   .003   .016   .018
O10    .0614  .1818  .0206   .040   .049   .020  -.011   .001   .009
O11    .4772  .2344  .1450   .090   .032   .052   .015   .036  -.004
O12    .4668  .4759  .1204   .030   .025   .026  -.008   .003  -.001
O13    .4446  .3503  .4038   .025   .056   .069   .014   .021  -.001
Wat1   .0975  .0281  .2522   .038   .021   .038  -.004   .018   .005
Wat2   .1947  .3370  .1437   .044   .028   .024   .007   .014  -.002
Wat3   .1982  .2442  .3359   .020   .031   .033  -.007   .013   .004
OW4A   .1895  -.003   .167
OW4B   .1979   .063   .118
Wat5   .1865  .4556  .4851   .032   .026   .024  -.007   .012  -.001
Wat6   .3130  .2809  .0420   .050   .043   .041   .011   .027   .004
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George-ericksenite
Download hom/georgeericksenite.pdf
Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A
Download am/vol83/AM83_390.pdf
American Mineralogist 83 (1998) 390-399
Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
Chacabuco, Chile: Description and crystal structure
_database_code_amcsd 0001979
23.645 10.918 15.768 90 114.42 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  .1223    .25   .016   .014   .014      0   .002      0
Mg        .5  .1056    .25   .023   .012   .013      0   .011      0
Na1    .1379  .1783  .1780   .029   .028   .025  -.001   .013   .003
Na2    .1228  .3922  .3304   .026   .022   .022  -.003   .005   .001
Na3    .3777  .1291  .0189   .030   .033   .037      0   .012  -.004
I1    .12628 .11870 .49298  .0164  .0153  .0143  .0018  .0038  .0007
I2    .00440 .37451 .08827  .0149  .0137  .0111 -.0009  .0053 -.0008
I3    .36796 .15586 .29555  .0177  .0181  .0175 -.0003  .0069  .0041
Cr     .4843  .3465  .0852   .016   .012   .013  -.001   .004   .001
O1     .3272  .2589  .4317   .022   .024   .018  -.003   .004  -.005
O2     .1789  .0616  .4456   .027   .035   .031  -.001   .014   .011
O3     .0786  .2143  .3950   .019   .016   .015   .005   .000   .003
O4     .0511  .2896  .1928   .014   .027   .011   .004   .002   .004
O5     .0336  .4799  .3624   .015   .027   .015   .006   .004  -.004
O6     .0630  .4704  .0767   .013   .024   .026  -.001   .005  -.007
O7     .3272  .2846  .2247   .043   .022   .024   .003   .007   .023
O8     .3081  .0427  .2601   .023   .053   .055   .026   .001  -.009
O9     .4075  .0991  .2278   .032   .041   .017   .003   .016   .018
O10    .0614  .1818  .0206   .040   .049   .020  -.011   .001   .009
O11    .4772  .2344  .1450   .090   .032   .052   .015   .036  -.004
O12    .4668  .4759  .1204   .030   .025   .026  -.008   .003  -.001
O13    .4446  .3503  .4038   .025   .056   .069   .014   .021  -.001
Wat1   .0975  .0281  .2522   .038   .021   .038  -.004   .018   .005
Wat2   .1947  .3370  .1437   .044   .028   .024   .007   .014  -.002
Wat3   .1982  .2442  .3359   .020   .031   .033  -.007   .013   .004
OW4A   .1895  -.003   .167
OW4B   .1979   .063   .118
Wat5   .1865  .4556  .4851   .032   .026   .024  -.007   .012  -.001
Wat6   .3130  .2809  .0420   .050   .043   .041   .011   .027   .004
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Dukeite
 
Burns P C, Roberts A C, Stirling J A R, Criddle A J, Feinglos M N
Download am/vol85/AM85_1822.pdf
American Mineralogist 85 (2000) 1822-1827
Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais,
Brazil: Description and crystal structure
_database_code_amcsd 0002599
15.067 15.067 15.293 90 90 120 P31c
atom       x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1   -.0237 .8074  .0630        .0192  .0379  .0200  .0184  .0038  .0056
Bi2    .6928 .6693  .0676        .0160  .0263  .0130  .0117 -.0023  .0024
Bi3    .8309 .5245  .0646        .0149  .0175  .0142  .0054  .0021 -.0022
Bi4    .6752 .4764  .2600        .0176  .0133  .0095  .0112  .0008 -.0001
Bi5    .0251 .7021  .2652        .0155  .0151  .0100  .0083  .0007  .0028
Bi6    .2921 .8245  .2649        .0201  .0190  .0078  .0136  .0012  .0002
Bi7    .1701 .9740  .2603        .0228  .0163  .0124  .0118 -.0002 -.0043
Bi8    .1261 .6464  .0651        .0535  .0188  .0050  .0075 -.0009  .0009
Cr1     .166  .836  -.089 .0149
Cr2      2/3   1/3  -.092 .0044
Cr3        0     0  -.088 .0258
Cr4    -.002  .494 -.0999 .0133
O1      .171  .832   .328 .0096
O2      .290  .947   .204 .0096
OH3     .830  .660  -.004 .0096
O4      .553  .340   .201 .0096
O5      .041  .841   .197 .0096
O6      .841  .790   .122 .0096
O7      .709  .548   .132 .0096
O8      .968  .655   .112 .0096
O9      .160  .832   .019 .0096
O10      2/3   1/3   .015 .0096
O11        0     0  -.194 .0096
O12    -.004  .497  -.207 .0096
O13    -.020  .093  -.062 .0096
O14    -.027  .579  -.062 .0096
O15    -.086  .380  -.063 .0096
O16     .671  .234  -.131 .0096
O17     .191  .751  -.126 .0096
O18     .263  .942  -.122 .0096
O19     .055  .813  -.126 .0096
O20     .109  .516  -.065 .0096
O21      2/3   1/3    .33 .0096
O22     .148  .707   .193 .0096
OH23    .017  .500   .105 .0096
Wat24   .339  .744   .105 .0096
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Sewardite
 
Roberts A C, Cooper M A, Hawthorne F C, Criddle A J, Stirling J A R
Download cm/vol40/CM40_1191.pdf
The Canadian Mineralogist 40 (2002) 1191-1198
Sewardite, CaFe2(AsO4)(OH)2, the Ca-analogue of carminite,
from Tsumeb, Namibia: Description and crystal structure
Locality: Tsumeb, Namibia
_database_code_amcsd 0005788
16.461 7.434 12.131 90 90 90 Cccm
atom      x      y      z  Uiso
Ca1       0      0    1/4 .0185
Ca2     1/4    3/4      0 .0101
Fe   .37896  .1321 .13404 .0056
As1  .04504  .7447      0 .0054
As2  .21374      0    1/4 .0048
O1    .0144  .2246  .1119  .005
O2    .0885   .529      0  .006
O3    .1219  -.114      0  .012
O4    .1511  .1777  .2389  .011
O5    .2720 -.0150  .1378  .005
OH6   .1711   .233      0  .005
OH7   .4243      0    1/4  .017
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Paganoite
 
Roberts A C, Burns P C, Gault R A, Criddle A J, Feinglos M N, Stirling J A R
 
European Journal of Mineralogy 13 (2001) 167-175
Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt,
Saxony, Germany: description and crystal structure
Locality: Johanngeorgenstadt, Saxony, Germany
_database_code_amcsd 0006855
6.7127 6.8293 5.2345 107.625 95.409 111.158 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni    .3634  .7345  .8307 .0133  .0099  .0170  .0129  .0057  .0023  .0049
Bi   .23608 .96812 .40945 .0127  .0077  .0183  .0134  .0067  .0036  .0055
As    .1864  .3875  .1578 .0108  .0072  .0144  .0108  .0051  .0015  .0038
O1     .501   .050   .770 .0118  .0070  .0237  .0070  .0095  .0024  .0047
O2     .228   .628   .416 .0119  .0122  .0149  .0128  .0087  .0048  .0065
O3     .235   .423   .864 .0167  .0176  .0148  .0194  .0097  .0034  .0051
O4    -.083   .202   .084 .0145  .0111  .0166  .0160  .0055  .0045  .0061
O5     .347   .275   .268 .0163  .0087  .0204  .0237  .0080  .0048  .0103
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View JMOL 3-D Structure
 
Jadarite
 
Whitfield P S, Le Page Y, Grice J D, Stanley C J, Jones G C, Rumsey M S,
Blake C, Roberts A C, Stirling J A R, Carpenter G J C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=396
Acta Crystallographica B63 (2007) 396-401
LiNaSiB3O7(OH) - novel structure of the new borosilicate mineral jadarite
determined from laboratory powder diffraction data
Locality: Jadar basin, Serbia
_database_code_amcsd 0009954
6.7620 13.8016 7.6878 90 124.089 90 P2_1/c
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li    .462  .1995 .1383  .046
Na   .9733 .99060 .7544 .0764   .091  .0657   .081    .01   .038 -.0046
Si   .0378  .7539 .2048 .0584
B1   .2096  .1602 .6623  .091
B2   .6920  .3493 .4160  .054
B3   .5290  .5022 .7860 .0947   .046   .158   .098   .016   .043   .078
O1   .8157  .7241 .9895 .0651
O2   .2673  .7818 .2102 .0663
O3   .9733  .8483 .2873 .0581
O4   .1150  .6584 .3491 .0542
O5   .7457  .5506 .8761 .0708
O6   .6846  .4560 .3520 .0570
O7   .5489  .6725 .6198 .0634
O8   .5299  .4051 .8362 .0733
H     .699  .3993  .936 .0953
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View JMOL 3-D Structure
 
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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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 7
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