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Fayalite |
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Lottermoser W, Steiner K, Grodzicki M, Jiang K, Scharfetter G, Bats J W, |
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Redhammer G J, Treutmann W, Hosoya S, Amthauer G |
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Physics and Chemistry of Minerals 29 (2002) 112-121 |
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The electric field gradient in synthetic fayalite alpha-Fe2SiO4 |
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at moderate temperatures |
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Sample: T = 153 K |
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_database_code_amcsd 0008631 |
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10.4597 6.0818 4.8150 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 0 0 .0042 .0053 .0035 .0038 -.0008 .0001 -.0003 |
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Fe2 .28003 .25 .98599 .0040 .0039 .0032 .0050 0 .0000 0 |
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Si .09745 .25 .43085 .0035 .0038 .0031 .0037 0 .0002 0 |
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O1 .09174 .25 .76800 .0051 .0060 .0050 .0042 0 .0003 0 |
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O2 -.04688 .25 .29110 .0049 .0040 .0050 .0057 0 -.0001 0 |
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O3 .16580 .03601 .28842 .0053 .0062 .0039 .0059 .0010 .0002 -.0004 |
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| Download AMC data (View Text File)
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Chrysoberyl |
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Weber S U, Grodzicki M, Lottermoser W, Redhammer G J, Tippelt G, Ponahlo J, Amthauer G |
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Physics and Chemistry of Minerals 34 (2007) 507-515 |
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57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and |
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electronic structure calculations on natural alexandrite |
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Locality: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia |
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Note: changed O1(z) from .788822 to .78822 |
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_database_code_amcsd 0009096 |
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9.4082 5.4790 4.4288 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 0 0 .00349 .00388 .00286 .00346 -.00037 .00006 0 |
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Al2 .27282 .25 -.00503 .98 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Cr2 .27282 .25 -.00503 .02 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Be .09289 .25 .4336 .00530 .0063 .0054 .0042 0 .0000 0 |
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O1 .09022 .25 .78822 .00332 .00397 .00339 .00260 0 -.00010 0 |
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O2 .43316 .25 .24167 .00370 .00366 .00387 .00365 0 -.00041 0 |
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O3 .16324 .01554 .25728 .00401 .00425 .00392 .00387 .00030 -.00029 .00031 |
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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
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