American Mineralogist Crystal Structure Database

9 matching records for this search.

Nickelaustinite
Download hom/nickelaustinite.pdf
Cesbron F P, Ginderow D, Giraud R, Pelisson P, Pillard F
Download cm/vol25/CM25_401.pdf
The Canadian Mineralogist 25 (1987) 401-407
La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du
district cobalto-nickelifere de Bou-Azzer, Maroc
Note: signs changed on y-coordinates of O1 and O2
_database_code_amcsd 0005215
7.455 8.955 5.916 90 90 90 P2_12_12_1
atom      x      y      z occ Biso
Ca    .3687  .1704  .4761       .8
Ni    .2405  .5049  .2558 .67   .8
Zn    .2405  .5049  .2558 .22   .8
Co    .2405  .5049  .2558 .04   .8
Mg    .2405  .5049  .2558 .06   .8
Cu    .2405  .5049  .2558 .01   .8
As    .1182  .1812  .0165       .6
O1   -.0549  .0627 -.0106      1.1
O2    .2839  .0668  .0842      1.1
O3    .1463  .2749 -.2322       .8
O4    .1024  .2960  .2430       .9
O5    .3978  .4255  .4967       .7
H      .475   .971   .010       .7
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Aubertite
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Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=2499
Acta Crystallographica B35 (1979) 2499-2502
Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O
Note: anisotropic displacement parameters obtained from ICSD
_database_code_amcsd 0009692
6.282 13.192 6.260 91.85 94.70 82.46 P-1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu      .5    .5     0  1.8  .0095  .0032  .0121 -.0005  .0007  .0014
Al      .5     0    .5  1.0  .0059  .0016  .0056  .0001  .0005  .0005
S    .9838 .1895 .0647  1.1  .0071  .0018  .0066  .0001 -.0003  .0005
O1   .0495 .2922 .0883  2.0  .0120  .0023  .0175 -.0013 -.0016  .0007
O2   .9497 .1527 .2769  2.0  .0090  .0046  .0102  .0002  .0026  .0033
O3   .1586 .1201 .9740  2.1  .0167  .0039  .0078  .0041  .0027  .0007
O4   .7847 .1926 .9245  2.1  .0122  .0027  .0158 -.0008 -.0075  .0007
O5   .5765 .1221 .4043  1.7  .0094  .0017  .0153 -.0004  .0035  .0014
O6   .2371 .0710 .5760  1.5  .0078  .0032  .0072  .0016  .0012  .0006
O7   .6241 .0246 .7783  1.5  .0120  .0020  .0074 -.0002 -.0027  .0003
O8   .5852 .4419 .2818  3.1  .0160  .0069  .0130 -.0053 -.0052  .0054
O9   .7929 .4557 .9183  2.6  .0101  .0043  .0208  .0013  .0065  .0044
O10  .4085 .3358 .8865  2.4  .0118  .0035  .0191 -.0005  .0033  .0018
O11  .3643 .3042 .4479  2.2  .0146  .0025  .0160  .0001  .0004  .0007
Cl       0    .5    .5  2.4  .0109  .0052  .0124 -.0008  .0000 -.0001
H5    .713  .128  .362   2.
H5'   .492  .175  .406   2.
H6    .145  .095  .490   2.
H6'   .204  .090  .715   2.
H7    .675  .079  .799   2.
H7'   .302  .030  .143   2.
H8    .504  .386  .357   2.
H8'   .701  .457  .370   2.
H9    .159  .531  .192   2.
H9'   .911  .407  .996   2.
H10   .299  .316  .965   2.
H10'  .492  .286  .919   2.
H11   .360  .320  .600   2.
H11'  .257  .306  .392   2.
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Mapimite
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Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=1040
Acta Crystallographica B37 (1981) 1040-1043
Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O
Locality: Ojuela, Mapimi, Durango, Mexico
Note: anisoB's from ICSD
_database_code_amcsd 0009743
11.415 11.259 8.661 90 107.74 90 Cm
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zn1   .2970     0 .6227   .7  .0015  .0017  .0013      0  .0001      0
Zn2   .7528     0 .6755  1.0  .0016  .0034  .0015      0 -.0001      0
Fe1   .0171     0 .6334   .4  .0010  .0013  .0002      0  .0002      0
Fe2   .0839 .1417 .3508   .4   .001  .0011  .0003 -.0001  .0001 -.0001
As1       0     0     0   .6  .0015  .0017  .0001      0 -.0001      0
As2   .8616 .2433 .4864   .5  .0009  .0011   .001 -.0003  .0002 -.0002
O1    .8492     0 .9065  1.0  .0015  .0040  .0011      0 -.0005      0
O2    .0810     0 .8667  1.0  .0021  .0040  .0001      0  .0001      0
O3    .0378 .1246 .1145  1.0  .0037  .0018  .0001 -.0004  .0002 -.0003
O4    .7124 .2405 .3729   .7  .0013  .0017  .0024  .0005 -.0005 -.0006
O5    .9482 .2449 .3584  1.3  .0023  .0028  .0027 -.0011  .0018 -.0012
O6    .8832 .1204 .6036   .9  .0017  .0016  .0025  .0004  .0011  .0011
O7    .9004 .3612 .6079   .9  .0017  .0017  .0033 -.0003 -.0001  .0010
OH1   .9791     0 .3771   .5  .0006  .0017  .0013      0 -.0002      0
OH2   .2028     0 .3771   .5  .0012  .0012  .0008      0  .0005      0
OH3   .1407 .1181 .6042   .7  .0020  .0016  .0008 -.0009  .0005 -.0005
Wat11 .3473     0 .8678  2.9  .0069  .0096  .0015      0 -.0003      0
Wat12 .6398     0 .4392  1.7  .0030  .0052  .0036      0 -.0004      0
Wat13 .6491 .1418 .7230  1.6  .0026  .0041  .0034  .0009  .0009  .0008
Wat14 .3771     0 .2254  3.9  .0036  .0133  .0073      0  .0031      0
Wat15 .7430     0 .1634  3.9  .0034  .0135  .0095      0  .0011      0
Wat16 .2559 .2413 .0151 14.2  .0434  .0374  .0098 -.0258 -.0083  .0133
Wat17 .0391 .3545 .0234 16.4  .0309  .0265  .0657  .0034 -.0007 -.0126
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Demesmaekerite
Download hom/demesmaekerite.pdf
Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=824
Acta Crystallographica C39 (1983) 824-827
Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O
Locality: Musoni, Kolwezi, Shaba, Zaire
Note: anisoB's from ICSD
_database_code_amcsd 0009977
11.955 10.039 5.639 89.78 100.36 91.34 P-1
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb    .1946 .6890 .3282 1.13 .0023  .0027  .0079 -.0002  .0009 -.0001
Cu1      .5    .5    .5   .9 .0015  .0028  .0062  .0002  .0006 -.0006
Cu2   .3850 .5767 .9350  1.1 .0013  .0037  .0077  .0002  .0005 -.0017
Cu3   .9537 .4432 .2080   .9 .0021  .0022  .0059 -.0001  .0014  .0001
Se1   .5121 .1688 .7260  1.1 .0014  .0028  .0114  .0000  .0006 -.0003
Se2   .2214 .3749 .5940   .9 .0017  .0021  .0078  .0005  .0000  .0000
Se3   .9539 .1108 .2123   .7 .0012  .0017  .0064  .0002  .0002  .0003
U    .74743 .9163 .7608  .64 .0010  .0015  .0058  .0001  .0004  .0001
O1    .3019 .1365 .9843  2.2 .0059  .0035  .0149 -.0012  .0000  .0032
O2    .1974 .0302 .4933  1.9 .0052  .0055  .0042 -.0006  .0016  .0019
O3    .8381 .1161 .9822  1.0 .0016  .0016  .0119  .0003  .0006 -.0010
O4    .6312 .0986 .6580  1.6 .0026  .0021  .0211  .0011  .0008 -.0016
O5    .5738 .8285 .5454  1.8 .0020  .0033  .0215  .0000 -.0018  .0026
O6    .7771 .6924 .6789  1.3 .0022  .0023  .0142  .0004  .0012 -.0021
O7    .9372 .8646 .9488  1.0 .0012  .0021  .0105 -.0005 -.0004  .0019
O8    .4439 .6702 .2607  1.7 .0029  .0049  .0112  .0009 -.0010 -.0033
O9    .3326 .4828 .6133  1.5 .0015  .0048  .0145 -.0009  .0170 -.0031
O10   .1134 .4851 .5178   .9 .0020  .0019  .0065  .0003  .0003 -.0007
O11   .0565 .7391 .6598  1.0 .0018  .0022  .0088  .0002  .0016 -.0021
OH1   .5251 .5931 .8038  1.0 .0014  .0027  .0091 -.0007  .0011 -.0010
OH2   .7619 .4587 .9689  1.1 .0013  .0036  .0083  .0000  .0009 -.0008
OH3   .0063 .6171 .0965  1.0 .0016  .0031  .0075  .0001  .0023 -.0004
Wat   .3403 .7971 .7985  2.5 .0042  .0075  .0186  .0026  .0017 -.0030
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Derriksite
Download hom/derriksite.pdf
Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=1605
Acta Crystallographica C39 (1983) 1605-1607
Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6
Locality: Musoni, Shaba, Ziare
Note: anisoB's from ICSD
_database_code_amcsd 0009986
5.570 19.088 5.965 90 90 90 Pn2_1m
atom      x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu1   .6033  .2512     0  .83  .0059  .0009  .0034  .0004      0      0
Cu2   .3877  .7535     0  .78  .0045  .0009  .0036  .0002      0      0
Cu3   .1080  .2455 .2498  .85  .0049  .0009  .0044  .0000  .0004 -.0002
U     .6848      0     0 1.15  .0152  .0005  .0062  .0009      0      0
Se1  -.0079  .4172     0 1.29  .0141  .0006  .0088  .0005      0      0
Se2   .6389  .5797     0 1.35  .0149  .0006  .0088 -.0004      0      0
O1    .4119 -.0477     0  2.8  .0178  .0013  .0301 -.0018      0      0
O2    .9525  .0509     0  2.8  .0303  .0012  .0214 -.0007      0      0
O3    .9419  .3326     0  1.3  .0115  .0007  .0104 -.0013      0      0
O4    .6926  .6648     0  1.4  .0137  .0011  .0064 -.0008      0      0
O5    .1809  .4271 .2207  2.2  .0302  .0010  .0089 -.0018 -.0071 -.0005
O6    .4420  .5739 .2173  2.4  .0284  .0014  .0108 -.0022  .0063  .0007
OH1   .0093  .7993     0   .9  .0065  .0007  .0058  .0006      0      0
OH2   .2282  .1946     0   .9  .0065  .0010  .0032  .0014      0      0
OH3   .7804  .2062 .2467   .8  .0046  .0008  .0034  .0004  .0012  .0001
OH4   .4292  .2954 .2516   .9  .0060  .0007  .0061  .0005 -.0004  .0001
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Roubaultite
Download hom/roubaultite.pdf
Ginderow D, Cesbron F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=654
Acta Crystallographica C41 (1985) 654-657
Structure de la roubaultite, Cu2(UO2)3(CO3)2O2(OH)2(H2O)4
Locality: Shinkolobwe, Province du Shaba, Zaire
Note: anisoB's from ICSD
_database_code_amcsd 0010005
7.767 6.924 7.850 92.16 90.89 93.48 P-1
atom      x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu    .4994  .2604 .4929  1.1  .0063  .0046  .0034 -.0017 -.0012 -.0012
U1        0      0     0  .81  .0050  .0022  .0033 -.0002 -.0014 -.0005
U2    .1377  .5179 .1947  .70  .0041  .0026  .0025 -.0002 -.0013 -.0005
C     .2305  .0284 .3134  1.0  .0058  .0035  .0043 -.0013 -.0029 -.0022
O1    .1884 -.0006 .8649  1.9  .0101  .0069  .0079 -.0015  .0011 -.0007
O2    .3332  .5375 .0721  1.8  .0049  .0150  .0052  .0003 -.0002 -.0025
O3   -.0477  .5010 .3241  1.7  .0063  .0125  .0052 -.0005  .0009 -.0001
O4    .1659 -.1314 .2480  1.8  .0131  .0000  .0090 -.0018 -.0046 -.0009
O5    .0030  .3143 .9977  1.5  .0088  .0072  .0051 -.0052 -.0019 -.0007
O6    .1839  .1789 .2406  2.2  .0134  .0061  .0085  .0014 -.0085 -.0008
O7    .3411  .0345 .4409  1.2  .0052  .0057  .0055 -.0016 -.0039 -.0001
O8    .3219  .5412 .4391  1.1  .0038  .0083  .0033 -.0020  .0000  .0000
O9    .4075  .2789 .7261  1.8  .0092  .0108  .0044 -.0042  .0000 -.0019
O10   .4210  .7470 .7476  1.9  .0105  .0099  .0053 -.0002 -.0003 -.0001
H1     .235   .448  .503  3.3
H2     .354   .208  .779  2.9
H3     .481   .333  .812  1.5
H4     .403   .663  .800  2.2
H5     .321   .831  .739  3.9
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Khademite
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Bachet B, Cesbron F, Chevalier R
 
Bulletin de Mineralogie 104 (1981) 19-22
Structure cristalline de la khademite Al(SO4)F*5H2O
_database_code_amcsd 0012072
11.181 13.048 10.885 90 90 90 Pcab
atom      x     y      z Biso
Al1       0    .5     .5   .4
Al2       0    .5      0   .5
S     .2384 .2475  .2468   .6
O1    .1686 .2549  .1320  1.7
O2    .3055 .1500  .2462  2.0
O3    .1579 .2501  .3545  1.6
O4    .3209 .3357  .2536  2.0
F     .0294 .5099  .1559  1.1
Ow2   .0098 .3756  .5882  1.1
Ow3   .1438 .4151 -.0207  1.2
Ow4  -.0943 .3821  .0288  1.5
Ow5   .0689 .4359  .3657  1.2
Ow6  -.1544 .4637  .4420  1.2
H2d    .057  .357   .648    2
H2b   -.047  .324   .598    2
H3d    .139  .359   .034    2
H3b    .149  .388  -.092    2
H4d   -.120  .340  -.032    2
H4b   -.121  .371   .103    2
H5d    .060  .459   .284    2
H5b    .102  .375   .365    2
H6d   -.168  .430   .373    2
H6b    .216  .495   .467    2
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Sidwillite
Download hom/sidwillite.pdf
Cesbron F, Ginderow D
 
Bulletin de Mineralogie 108 (1985) 813-823
La sidwillite, MoO3*2H2O; une nouvelle espece minerale de Lake Como, Colorado, U.S.A.
Locality: Lake Como, Colorado, USA
_database_code_amcsd 0020017
10.596 13.804 10.462 90 91.59 90 P2_1/n
atom      x      y      z Biso
Mo1  .10188 .24809 .13697  .61
Mo2  .14008 .24453 .60604  .58
Mo3  .38185 .24484 .34608  .59
Mo4  .35276 .25042 .88274  .61
O1    .1232  .1294  .6583  1.6
O2    .3571  .1310  .8480  1.6
O3    .6110  .1327  .6719  1.6
O4    .8718  .1341  .8273  1.6
O5    .0221  .2458  .9837  1.3
O6    .9804  .2075  .2358  1.1
O7    .0248  .2542  .4794  1.2
O8    .9882  .2905  .7291  1.1
O9    .2717  .2565  .0259  1.2
O10   .2350  .2041  .2692   .9
O11   .2793  .2373  .5185  1.3
O12   .2325  .2924  .7692  1.0
O13   .1383  .0888  .0885  1.4
O14   .6470  .0913  .0853  1.5
O15   .4001  .0863  .4087  1.5
O16   .8894  .0889  .4169  1.4
O17   .1236  .0115  .3617  2.0
O18   .1222 -.0033  .8604  2.0
O19   .3770  .0091  .1348  1.9
O20   .3721 -.0014  .6403  2.0
H1     .118   .070   .006 3.50
H2     .224   .068   .114 3.90
H3     .635   .069   .005 3.80
H4     .728   .063   .120 4.30
H5     .387   .064   .502 5.70
H6     .469   .053   .391 6.00
H7     .877   .062   .499 1.80
H8     .971   .067   .400 4.20
H9     .135  -.049   .281 7.40
H10    .183   .085   .358 8.90
H11    .122   .039   .781 6.00
H12     .05  -.054   .835 6.00
H13    .378  -.040   .216 3.90
H14    .437   .067   .157 8.70
H15    .369   .051   .707 4.90
H16     .31  -.072   .655 8.70
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Curienite
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Borene J, Cesbron F
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 94 (1971) 8-14
Structure cristalline de la curienite Pb(UO2)2(VO4)2(H2O)5
Locality: Mounana, Gabon
_database_code_amcsd 0012133
10.419 8.494 16.405 90 90 90 Pcan
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb    .3526      0   -.25       .0044  .0051  .0006      0      0 -.0003
U     .1857  .0227  .0028      -.0006  .0021  .0001  .0001      0  .0002
V    -.0308  .6542  .0436      -.0013  .0008      0  .0006      0  .0006
O1    .1018  .5655 -.0231  -.8
O2    .0055  .6389  .1394  1.7
O3    .0168  .8497  .0164  1.3
O4   -.1963  .7022  .0196  3.4
O5    .1801  .0778  .1006 -1.1
O6    .1937 -.0328 -.0940   .4
Wat1  .2357  .2851 -.2245  1.6
Wat2  .5323 -.1880 -.1878  2.0
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Total number of retrieved datasets: 9
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