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Ohmilite |
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Mizota T, Komatsu M, Chihara K |
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American Mineralogist 68 (1983) 811-817 |
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A refinement of the crystal structure of ohmilite, Sr3(Ti,Fe3+)(O,OH)(Si2O6)2* |
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2-3H2O |
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_database_code_amcsd 0000908 |
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10.979 7.799 7.818 90 100.9 90 P2_1/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr1 .1107 .25 .3523 0.0019 0.0024 0.0026 0 0.0007 0 |
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Sr2 .4164 .25 .7175 0.0015 0.0021 0.0042 0 0.0010 0 |
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Sr3 .2667 .75 .3916 0.0019 0.0018 0.0029 0 0.0010 0 |
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Ti 0 0 0 0.0014 0.0176 0.0019 0.0014 0.0004 -.0017 |
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Si1 .2989 .4532 .1160 0.0015 0.0015 0.0024 0.0000 0.0004 -.0001 |
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Si2 .2054 .5470 .7418 0.0018 0.0011 0.0024 0.0000 0.0010 0.0000 |
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O1 .0278 .25 .0033 0.0023 0.0032 0.0041 0 0.0013 0 |
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O2 .1669 .5289 .1486 0.0018 0.0023 0.0034 0.0000 0.0003 -.0008 |
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O3 .0665 .5267 .7762 0.0020 0.0024 0.0031 -.0002 0.0010 0.0001 |
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O4 .2972 .25 .1691 0.0031 0.0013 0.0032 0 0.0009 0 |
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O5 .2417 .75 .7344 0.0038 0.0005 0.0047 0 0.0025 0 |
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O6 .4108 .5446 .2410 0.0025 0.0026 0.0043 -.0005 0.0002 -.0011 |
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O7 .2337 .4572 .5698 0.0030 0.0015 0.0033 0.0001 0.0011 -.0008 |
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O8 .3039 .4610 .9070 0.0020 0.0029 0.0033 0.0006 0.0012 0.0007 |
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Wat1 .0283 .75 .4096 0.0017 0.0037 0.0041 0 -.0001 0 |
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Wat2 .5077 .25 .4323 0.0030 0.0054 0.0046 0 0.0006 0 |
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Wat3 .521 .25 .029 .274 0.0110 0.0050 0.1300 0 0.0330 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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Ohmilite |
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Mizota T, Komatsu M, Chihara K |
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Mineralogical Journal 7 (1973) 302-305 |
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On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral |
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Locality: Ohmi District, Niigata Prefecture, Central Japan |
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Note: paper is missing data for O8 |
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_database_code_amcsd 0014415 |
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10.958 7.778 7.799 90 100.90 90 P2_1/m |
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atom x y z Biso |
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Sr1 .1106 .25 .3530 .18 |
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Sr2 .4165 .25 .7175 .23 |
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Sr3 .2667 .75 .3919 .17 |
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Ti 0 0 0 .78 |
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Si1 .2988 .4528 .1163 -.04 |
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Si2 .2058 .5485 .7421 -.06 |
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O1 .2981 .25 .1688 .20 |
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O2 .1654 .5300 .1481 .03 |
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O3 .4099 .5451 .2417 .27 |
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O4 .3049 .1601 .9080 .17 |
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O5 .2345 .4565 .5695 .19 |
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O6 .0641 .5289 .7751 .22 |
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O7 .2410 .75 .7369 .54 |
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OH .0235 .25 .0029 .92 |
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Wat1 .0281 .75 .4091 .50 |
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Wat2 .5085 .25 .4311 .89 |
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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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