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ICSDµÚÒ»¸öûÓС£ÀàËÆµÄÓУº *data for ICSD #41110 Coll Code 41110 Rec Date 1999/11/30 Mod Date 2002/04/01 Chem Name Aluminium Germanium Oxide (5/1/9.5) - Supercell Structured Al5 Ge1 O9.5 Sum Al5 Ge1 O9.5 ANX A2B10X19 D(calc) 3.43 Title Observation of ordering in silicon and germanium mullites Author(s) Kahn-Harari, A.;Abolhassani, S.;Michel, D.;Mazerolles, L.;Portier, R.;Perez-Ramirez, J.G. Reference Journal of Solid State Chemistry (1991), 90, 234-248 Unit Cell 30.65999 7.765 5.842 90. 90. 90. Vol 1390.83 Z 8 Space Group B b 21 m SG Number 36 Cryst Sys orthorhombic Pearson oS124 Wyckoff b6 a19 Red Cell B 5.842 7.765 15.605 90 100.787 89.999 695.417 Trans Red 0.000 0.000 -1.000 / 0.000 1.000 0.000 / 0.500 0.000 0.500 Comments Prepared compositions in Al4+2x Ge2-2x O10-x with x=.25 and .40, given supercell for x=.4 with 4a', b', 2c' of subcell The structure has been assigned a PDF number (calculated powder diffraction data): 01-088-2013 Structure calculated theoretically X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Al 1 +3 8 b 0.062 0 0.25 1. 0 Al 2 +3 8 b 0.312 0 0.25 1. 0 Al 3 +3 4 a 0.1 0.34 0 1. 0 Al 4 +3 4 a 0.6 0.34 0 1. 0 Al 5 +3 4 a 0.85 0.34 0 1. 0 Al 6 +3 4 a 0.775 0.66 0 1. 0 Al 7 +3 4 a 0.525 0.66 0 1. 0 Al 8 +3 4 a 0.025 0.66 0 1. 0 Ge 1 +4 4 a 0.38 0.205 0 1. 0 Ge 2 +4 4 a 0.247 0.795 0 1. 0 O 1 -2 4 a 0.152 0.422 0 1. 0 O 2 -2 4 a 0.652 0.422 0 1. 0 O 3 -2 4 a 0.402 0.422 0 1. 0 O 4 -2 4 a 0.902 0.422 0 1. 0 O 5 -2 4 a 0.223 0.578 0 1. 0 O 6 -2 4 a 0.723 0.578 0 1. 0 O 7 -2 4 a 0.472 0.578 0 1. 0 O 8 -2 4 a 0.972 0.578 0 1. 0 O 9 -2 8 b 0.094 0.219 0.25 1. 0 O 10 -2 8 b 0.344 0.219 0.25 1. 0 O 11 -2 8 b 0.281 0.781 0.25 1. 0 O 12 -2 8 b 0.531 0.781 0.25 1. 0 O 13 -2 4 a 0.425 0.05 0 1. 0 O 14 -2 4 a 0.2 0.945 0 1. 0 O 15 -2 4 a 0.937 0 0 1. 0 *end for ICSD #41110 |
3Â¥2010-05-16 09:54:38
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2Â¥2010-05-16 09:22:33
xmuamoy
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
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*data for ICSD #92508 Coll Code 92508 Rec Date 2002/10/01 Chem Name Tripraseodymium Rhenate(VII) Structured Pr3 (Re O8) Sum O8 Pr3 Re1 ANX AB3X8 D(calc) 7.64 Title Preparation and crystal structure of rare earth rhenates: the series Ln5 Re2 O12 with Ln = Y, Gd-Lu, and the praseodymium rhenates Pr3 Re O8, Pr3 Re2 O10 and Pr4 Re2 O11 Author(s) Jeitschko, W.;Heumannskaemper, D.H.;Rodewald, U.C.;Schriewer- Poettgen, M.S. Reference Zeitschrift fuer Anorganische und Allgemeine Chemie (2000), 626, 80-88 Unit Cell 14.960(3) 7.476(1) 6.116(1) 90. 90. 110.46(2) Vol 640.87 Z 4 Space Group P 1 1 21/a SG Number 14 Cryst Sys monoclinic Pearson mP48 Wyckoff e12 R Value .017 Red Cell P 6.116 7.476 14.195 99.106 90 89.999 640.869 Trans Red 0.000 0.000 1.000 / 0.000 -1.000 0.000 / 1.000 1.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-6956 Structure type : Sm3ReO8 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Pr 1 +3 4 e 0.19986(1) 0.59985(3) 0.25805(4) 1. 0 Pr 2 +3 4 e 0.16655(2) 0.10572(3) 0.30625(4) 1. 0 Pr 3 +3 4 e 0.44616(2) 0.66076(4) 0.29237(4) 1. 0 Re 1 +7 4 e 0.40928(1) 0.18055(2) 0.25614(3) 1. 0 O 1 -2 4 e 0.1735(4) 0.3171(4) 0.0244(5) 1. 0 O 2 -2 4 e 0.1605(3) 0.3522(4) 0.5251(5) 1. 0 O 3 -2 4 e 0.0164(3) 0.4037(6) 0.1986(6) 1. 0 O 4 -2 4 e 0.2926(2) 0.9757(4) 0.2068(6) 1. 0 O 5 -2 4 e 0.0906(3) 0.8681(7) 0.0527(7) 1. 0 O 6 -2 4 e 0.3322(2) 0.3293(5) 0.3432(2) 1. 0 O 7 -2 4 e 0.4049(3) 0.2502(6) 0.9628(6) 1. 0 O 8 -2 4 e 0.4765(3) 0.0301(6) 0.1984(9) 1. 0 *end for ICSD #92508 |
4Â¥2010-05-16 09:56:38
xmuamoy
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
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5Â¥2010-05-16 21:47:38













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