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[求助]
求FeMnO4的晶體數(shù)據(jù)
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| 求FeMnO4的晶體數(shù)據(jù),mercury或diamond能用的數(shù)據(jù),畫圖用。謝謝 |
鐵桿木蟲 (職業(yè)作家)
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分子式應(yīng)該為Fe2Mn1O4 數(shù)據(jù)如下,怎么換成CIF文件呀?幫忙弄下吧,謝謝! *data for ICSD #170910 Coll Code 170910 Rec Date 2006/04/01 Chem Name Manganese Diiron Oxide Structured Mn Fe2 O4 Sum Fe2 Mn1 O4 ANX AB2X4 D(calc) 4.99 Title Cation distribution and size-strain microstructure analysis in ultrafine Zn-Mn Ferrites obtained from acetylacetonato complexes Author(s) Antic, B.;Kremenovic, A.;Nikolic, A.S.;Stoiljkovic, M. Reference J. Phys. Chem. B (2004), 108(34), 12646-12651 Unit Cell 8.4983(2) 8.4983(2) 8.4983(2) 90. 90. 90. Vol 613.75 Z 8 Space Group F d -3 m Z SG Number 227 Cryst Sys cubic Pearson cF56 Wyckoff e d a R Value .094 Red Cell F 6.009 6.009 6.009 60 60 60 153.439 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-3820 Rietveld profile refinement applied Structure type : Al2MgO4 X-ray diffraction (powder) Atom # OX SITE x y z SOF H Mn 1 +2 8 a 0.12500 0.12500 0.12500 1.00000 0 Fe 1 +3 16 d 0.50000 0.50000 0.50000 1.00000 0 O 1 -2 32 e 0.2639(4) 0.2639(4) 0.2639(4) 1.00000 0 *end for ICSD #170910 |
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