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sccas银虫 (初入文坛)
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[求助]
求Pr6O11的cif文件，10金币~~已有1人参与
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*data for ICSD #82107 Coll Code 82107 Rec Date 1999/11/30 Chem Name Praseodymium Oxide (12/22) - Beta Structured Pr12 O22 Sum O22 Pr12 ANX A2B4X11 D(calc) 6.92 Title Structures in the oxygen-deficient fluorite-related Rn O2n-2 homologous series: Pr12 O22 Author(s) Zhang, J.;von Dreele, R.B.;Eyring, L. Reference Journal of Solid State Chemistry (1996), 122, 53-58 Unit Cell 6.6850(2) 11.6004(4) 12.8271(4) 90. 99.974(1) 90. Vol 979.69 Z 2 Space Group P 1 21/c 1 SG Number 14 Cryst Sys monoclinic Pearson mP68 Wyckoff e17 R Value .032 Red Cell P 6.685 11.600 12.827 90 99.974 90 979.691 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-0573 Rietveld profile refinement applied Atom # OX SITE x y z SOF H ITF(U) Pr 1 +4 4 e 0.8607(5) -.0136(3) 0.1181(3) 1. 0 0.0063(1) Pr 2 +4 4 e 0.4095(4) 0.1682(4) 0.1275(2) 1. 0 0.0063(1) Pr 3 +4 4 e 0.8719(5) 0.3469(3) 0.1235(3) 1. 0 0.0063(1) Pr 4 +4 4 e 0.8636(5) 0.6670(4) 0.1088(2) 1. 0 0.0063(1) Pr 5 +3 4 e 0.3736(6) 0.5045(3) 0.1321(3) 1. 0 0.0063(1) Pr 6 +3 4 e 0.3564(5) 0.8332(4) 0.1275(3) 1. 0 0.0063(1) O 1 -2 4 e 0.1744(5) 0.0158(3) 0.0762(2) 1. 0 0.01056(9) O 2 -2 4 e 0.7492(4) 0.1613(3) 0.0775(2) 1. 0 0.01056(9) O 3 -2 4 e 0.1735(4) 0.3180(3) 0.0876(2) 1. 0 0.01056(9) O 4 -2 4 e 0.6920(5) 0.5140(2) 0.0540(2) 1. 0 0.01056(9) O 5 -2 4 e 0.1769(4) 0.6648(3) 0.0579(2) 1. 0 0.01056(9) O 6 -2 4 e 0.6635(4) 0.8247(3) 0.0473(2) 1. 0 0.01056(9) O 7 -2 4 e 0.5696(5) 0.0005(2) 0.1762(3) 1. 0 0.01056(9) O 8 -2 4 e 0.5821(4) 0.3389(3) 0.1814(2) 1. 0 0.01056(9) O 9 -2 4 e 0.0366(5) 0.5228(3) 0.2059(2) 1. 0 0.01056(9) O 10 -2 4 e 0.5912(4) 0.6719(3) 0.2040(2) 1. 0 0.01056(9) O 11 -2 4 e 0.0244(4) 0.8199(3) 0.1925(2) 1. 0 0.01056(9) *end for ICSD #82107 |
2楼2014-07-16 00:21:54
sccas
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3楼2014-07-18 17:42:34