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Forsterite |
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Kirfel A, Lippmann T, Blaha P, Schwarz K, Cox D F, Rosso K M, Gibbs G V |
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Physics and Chemistry of Minerals 32 (2005) 301-313 |
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Electron density distribution and bond critical point properties |
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for forsterite, Mg2 SiO4, determined with synchrotron single |
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crystal X-ray diffraction data |
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Note: Olivine |
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Sample: (HO;0.7) refinement |
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_database_code_amcsd 0008970 |
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4.752 10.192 5.978 90 90 90 Pbnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 0 0 .00408 .00643 .00426 .00018 -.00058 .00107 |
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Mg2 .50846 .77742 .25 .00507 .00425 .00526 -.00016 0 0 |
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Si .07353 .59403 .25 .00247 .00369 .00360 -.00016 0 0 |
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O1 .73408 .59155 .25 .00278 .00622 .00530 -.00008 0 0 |
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O2 .22160 .44704 .25 .00458 .00369 .00568 -.00004 0 0 |
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O3 .22253 .66316 .46697 .00475 .00599 .00468 -.00017 -.00027 -.01044 |
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