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Ferrobustamite |
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Yamanaka T, Sadanaga R, Takeuchi Y |
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American Mineralogist 62 (1977) 1216-1224 |
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Structural variation in the ferrobustamite solid solution |
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Note: Wo82Fs18 |
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Locality: Ofuku mine, Yamaguchi Prefecture, Japan |
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_database_code_amcsd 0000607 |
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7.862 7.253 13.967 89.44 95.28 103.29 A-1 |
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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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Ca1 .2006 .4175 .3775 .972 .417 .0021 .0025 .0006 .0004 .0001 .0000 |
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Fe1 .2006 .4175 .3775 .028 .417 .0021 .0025 .0006 .0004 .0001 .0000 |
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Ca2 .1988 .9329 .3757 .983 .536 .0023 .0027 .0007 .0004 .0001 .0000 |
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Fe2 .1988 .9329 .3757 .017 .536 .0023 .0027 .0007 .0004 .0001 .0000 |
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Ca3 .5 .25 .25 .035 .505 .0022 .0025 .0007 .0004 .0001 0 |
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Fe3 .5 .25 .25 .965 .505 .0022 .0025 .0007 .0004 .0001 0 |
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Ca4 .5 .75 .25 .986 .536 .0023 .0027 .0007 .0004 .0001 0 |
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Fe4 .5 .75 .25 .014 .536 .0023 .0027 .0007 .0004 .0001 0 |
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Si1 .1888 .3960 .6365 .355 .0015 .0018 .0005 .0003 .0001 .0000 |
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Si2 .1925 .9570 .6315 .631 .0018 .0021 .0005 .0003 .0001 .0000 |
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Si3 .3971 .7263 .5231 .349 .0015 .0018 .0005 .0003 .0001 .0000 |
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O1 .4292 .2346 .4026 .724 .0031 .0036 .0009 .0005 .0002 .0000 |
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O2 .4008 .7237 .4085 .579 .0025 .0029 .0007 .0004 .0001 .0000 |
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O3 .3177 .4808 .7315 .687 .0030 .0035 .0009 .0005 .0002 .0000 |
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O4 .3103 .9280 .7292 .900 .0039 .0045 .0012 .0007 .0002 .0000 |
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O5 .0150 .6213 .3556 .870 .0038 .0044 .0011 .0006 .0002 .0000 |
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O6 .0129 .1339 .3738 1.043 .0045 .0052 .0013 .0008 .0002 .0000 |
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O7 .2637 .5183 .5434 .772 .0033 .0039 .0010 .0006 .0002 .0000 |
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O8 .2787 .8838 .5400 .823 .0036 .0042 .0011 .0006 .0002 .0000 |
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O9 .2238 .1860 .6188 1.107 .0048 .0056 .0014 .0008 .0003 .0001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ferrobustamite |
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Rapoport P A, Burnham C W |
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Ferrobustamite: The crystal structures of two Ca,Fe bustamite-type pyroxenoids |
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Zeitschrift fur Kristallographie 138 (1973) 419-438 |
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Note: Sample Wo50Fs50 |
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Locality: synthetic |
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_database_code_amcsd 0020117 |
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7.691 7.112 13.765 90.367 95.317 103.967 A-1 |
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atom x y z occ Biso |
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Ca1 .2067 .4266 .3731 .23 .93 |
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Ca2 .1989 .9391 .3759 .78 .82 |
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Ca3 .5 .25 .25 .07 .72 |
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Ca4 .5 .75 .25 .92 .70 |
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Fe1 .2067 .4266 .3731 .77 .93 |
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Fe2 .1989 .9391 .3759 .22 .82 |
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Fe3 .5 .25 .25 .93 .72 |
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Fe4 .5 .75 .25 .08 .70 |
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Si1 .1751 .3904 .6368 .65 |
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Si2 .1775 .9426 .6312 .71 |
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Si3 .3935 .7179 .5226 .62 |
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O1 .4304 .2376 .4011 .80 |
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O2 .4021 .7096 .4068 1.18 |
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O3 .3141 .4724 .7312 1.18 |
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O4 .3032 .9279 .7303 1.00 |
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O5 .0276 .6155 .3510 1.56 |
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O6 .0295 .1638 .3744 1.76 |
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O7 .2540 .5108 .5424 1.05 |
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O8 .274 .8800 .5388 1.01 |
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O9 .1866 .1703 .6176 2.15 |
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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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Ferrobustamite |
|
Rapoport P A, Burnham C W |
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Ferrobustamite: The crystal structures of two Ca,Fe bustamite-type pyroxenoids |
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Zeitschrift fur Kristallographie 138 (1973) 419-438 |
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Note: Sample Wo79Fs21 |
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Locality: Skye, Scotland |
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_database_code_amcsd 0020118 |
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7.832 7.229 13.925 90.017 95.4 103.35 A-1 |
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atom x y z occ Biso |
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Ca1 .2000 .4218 .3776 .71 |
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Ca2 .1994 .9284 .3755 .82 1.05 |
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Ca3 .5 .25 .25 .55 .13 |
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Ca4 .5 .75 .25 .55 1.47 |
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Fe2 .1994 .9284 .3755 .18 1.05 |
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Fe3 .5 .25 .25 .45 .13 |
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Fe4 .5 .75 .25 .45 1.47 |
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Si1 .1877 .3980 .6344 1.34 |
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Si2 .1902 .9475 .6346 1.53 |
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Si3 .3973 .7244 .5226 .90 |
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O1 .425 .233 .403 2.1 |
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O2 .414 .727 .410 1.1 |
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O3 .318 .471 .731 1.4 |
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O4 .302 .936 .724 2.1 |
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O5 .014 .629 .362 2.2 |
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O6 .009 .127 .371 1.6 |
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O7 .274 .507 .543 1.7 |
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O8 .268 .883 .541 2.2 |
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O9 .224 .183 .620 2.9 |
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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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