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zhleile200木蟲 (著名寫手)
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[交流]
【討論】求Ba2PdH4的cif文件
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| 如題,求Ba2PdH4的cif文件 |
鐵桿木蟲 (職業(yè)作家)
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ICSD里只有Ba2 Pb O4,供你參考 *data for ICSD #66543 Coll Code 66543 Rec Date 1994/01/19 Chem Name Dibarium Lead(IV) Oxide Structured Ba2 Pb O4 Sum Ba2 O4 Pb1 ANX AB2X4 D(calc) 7.42 Title Time-of-flight powder neutron diffraction study of the structure ofBa2PbO4 Author(s) Rosseinsky, M.J.;Prassides, K. Reference Acta Crystallographica C (39,1983-) (1991), 47, 2519-2522 Unit Cell 4.29650(2) 4.29650(2) 13.2285(1) 90. 90. 90. Vol 244.2 Z 2 Space Group I 4/m m m SG Number 139 Cryst Sys tetragonal Pearson tI14 Wyckoff e2 c a R Value .026 Red Cell I 4.296 4.296 7.278 107.166 107.166 89.999 122.098 Trans Red 1.000 0.000 0.000 / 0.000 -1.000 0.000 / -0.500 0.500 -0.500 Comments Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-079-1543 Rietveld profile refinement applied Temperature in Kelvin: 5 Structure type : K2MgF4 At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. Atom # OX SITE x y z SOF H ITF(U) Ba 1 +2 4 e 0 0 0.3554(1) 1. 0 0.39(5) Pb 1 +4 2 a 0 0 0 1. 0 0.12(4) O 1 -2 4 e 0 0 0.1619(1) 1. 0 0.84(6) O 2 -2 4 c 0 0.5 0 1. 0 0.56(5) *end for ICSD #66543 |
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