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Tincalconite |
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Giacovazzo C, Menchetti S, Scordari F |
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American Mineralogist 58 (1973) 523-530 |
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The crystal structure of tincalconite |
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_database_code_amcsd 0000321 |
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11.09 11.09 21.07 90 90 120 R32 |
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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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Na1 0 .6695 .5 .0038 .0040 .0007 .0019 .0001 .0001 |
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Na2 0 0 .5 .0029 .0029 .0012 .0014 0 0 |
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Na3 0 0 .0928 .0075 .0075 .0021 .0038 0 0 |
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B1 .0926 .2676 .3825 .0022 .0043 .0004 .0022 .0002 .0001 |
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B2 .2385 .0585 .2882 .0036 .0024 .0012 .0019 .0004 .0004 |
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O1 0 .5334 0 .0004 .0013 .0007 .0002 -.0005 -.0003 |
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O2 .0325 .2911 .2526 .0031 .0014 .0010 .0000 -.0007 .0007 |
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O3 .2129 .0421 .3503 .0043 .0019 .0006 .0015 .0003 .0002 |
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OH4 .1281 .1942 .4290 .0039 .0017 .0006 .0021 .0004 .0002 |
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OH5 .2630 .1794 .2577 .0170 .0054 .0017 .0086 .0030 .0021 |
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Wat6 .0885 .2223 .1339 .0075 .0066 .0005 .0044 -.0009 -.0004 |
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Wat7 0 .8620 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Tincalconite |
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Luck R L, Wang G |
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American Mineralogist 87 (2002) 350-354 |
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On the nature of tincalconite |
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_database_code_amcsd 0002764 |
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11.1402 11.1402 21.207 90 90 120 R32 |
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atom x y z occ Uiso |
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Na1 0 0 0 .019 |
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Na2 -.3305 0 0 .026 |
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Na3 -2/3 -1/3 .0740 .044 |
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B1 .2666 .0925 .1184 .016 |
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B2 -.5143 .0919 .1207 .025 |
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O1 -2/3 .2002 1/6 .013 |
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O2 -.5029 .1222 .1836 .022 |
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O3 -.6249 .0749 .0855 .023 |
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Oh4 .1952 .1294 .0721 .017 |
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Oh5 -.4168 .0718 .0915 .048 |
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O11 -.1991 .2443 -.0322 .035 |
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O12 -.6279 -.4492 .1705 1/3 .066 |
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H121 -.6174 -.4433 .2089 1/6 .099 |
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H122 -.6403 -.4940 .1375 1/6 .099 |
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H4 .1490 .1480 .0938 .031 |
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H5 -.3540 .0880 .1111 .059 |
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H111 -.1540 .2770 .0071 .069 |
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H112 -.1370 .2550 -.0472 .067 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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