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