American Mineralogist Crystal Structure Database

3 matching records for this search.

Nitrocalcite
Download hom/nitrocalcite.pdf
Ribar B, Divjakovic V, Herak R, Prelesnik B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=29&spage=1546
Acta Crystallographica B29 (1973) 1546-1548
A new crystal structure study of Ca(NO3)2*(H2O)
Locality: Synthetic
_database_code_amcsd 0018699
6.277 9.157 14.484 90 98.6 90 P2_1/n
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .0395 .0897 .3669  .0069  .0032  .0014  .0002  .0006  .0002
O1   .0219 .2134 .6739  .0153  .0070  .0019  .0002  .0015 -.0002
O2   .0817 .1213 .5415  .0248  .0023  .0022 -.0020  .0019 -.0011
O3   .1124 .3556 .5654  .0277  .0028  .0038 -.0024  .0023 -.0004
O4   .0239 .2309 .2133  .0187  .0039  .0039  .0019  .0022  .0001
O5   .1137 .1343 .0865  .0258  .0119  .0015  .0002  .0018  .0016
O6   .1580 .0153 .2181  .0247  .0048  .0024 -.0054  .0018 -.0007
O7   .1813 .4635 .7814  .0130  .0055  .0034  .0006 -.0014 -.0016
O8   .1243 .4639 .0853  .0144  .0058  .0030 -.0007 -.0016  .0011
O9   .3150 .2791 .3965  .0241  .0016  .0031 -.0036  .0011  .0004
O10  .3090 .1961 .8849  .0238  .0093  .0050 -.0084 -.0027  .0024
N1   .0720 .2330 .5936  .0119  .0026  .0018 -.0019  .0005 -.0003
N2   .0987 .1292 .1702  .0129  .0049  .0022  .0003  .0004  .0002
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Imhofite
Download hom/imhofite.pdf
Divjakovic V, Nowacki W
Download zk/vol144/ZK144_323.pdf
Zeitschrift fur Kristallographie 144 (1976) 323-333
Die kristallstruktur von imhofit, Tl5.6As15S25.3
Locality: synthetic
_database_code_amcsd 0010785
8.755 24.425 5.739 90 108.28 90 P2_1/n
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Tl1  .0492 .1587 -.0266      4.1  .0156  .0017  .0321  -.0006  .0046 -.0009
Tl2  .2692 .4626   .400 .27  4.9
Tl2A  .171 .4579   .372 .13  5.0
As1  .9156 .2629  .2780      2.1  .0069  .0006   .023   .0003  .0033 -.0005
As2  .8862 .4074  .2332 .75  1.5  .0097  .0003   .007  -.0000  .0011  .0002
As3  .5781 .1616  .3288      1.3  .0052  .0008  .0077   .0002  .0015  .0007
As4  .2225 .4699  .0965  .5  1.6  .0063  .0006   .011   .0001  .0001  .0009
As5  .7244 .0330  .1683  .5  1.8  .0056  .0006   .018   .0001 -.0006 -.0000
S1   .9137 .0272  -.030  .5  2.3
S2   .3814 .0879   .122      3.0  .0123  .0012   .023  -.0019   .005 -.0014
S3   .7431 .3308   .074      2.5  .0096  .0009   .018   .0001  -.001  .0006
S4   .8171 .1027   .437      2.6  .0102  .0010   .021  -.0000   .002 -.0013
S5   .6782 .4664   .074 .83  2.7  .0089  .0008   .025   .0016  -.002  .0005
S6   .1347 .3175   .461      2.2  .0076  .0012   .011  -.0007   .001  .0004
S7   .3280 .2507   .093      2.5  .0116  .0012   .019  -.0008   .011 -.0016
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Galkhaite
Download hom/galkhaite.pdf
Divjakovic V, Nowacki W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1975 (1975) 291-293
Die kristallstruktur von galchait [Hg0.76(Cu,Zn)0.24]12Tl0.96(AsS3)8
Locality: Getchell mine, Humboldt County, Nevada, USA
_database_code_amcsd 0014754
10.379 10.379 10.379 90 90 90 I-43m
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Hg     .25    .5     0 .76 3.51  .0127  .0059  .0059      0      0      0
Cu     .25    .5     0 .12 3.51  .0127  .0059  .0059      0      0      0
Zn     .25    .5     0 .12 3.51  .0127  .0059  .0059      0      0      0
Tl       0     0     0     5.92  .0137  .0137  .0137      0      0      0
As   .2456 .2456 .2456     2.07  .0048  .0048  .0048 -.0003 -.0003 -.0003
S    .3884 .3884 .1629     2.74  .0069  .0069  .0052 -.0014  .0001  .0001
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Total number of retrieved datasets: 3
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