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xiaoqiang0556至尊木虫 (著名写手)
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【求助】KNO2和NaNO2的ICSD数据 已有2人参与
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| ICSD2004和2008安装后怎么也不能运行,所以请大家帮我查一下KNO2和NaNO2的ICSD数据,谢谢~~~~~~ |
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*data for ICSD #86118 Coll Code 86118 Rec Date 1999/11/30 Mod Date 2006/04/01 Chem Name Potassium Nitrate(III) - Ii Structured K (N O2) Sum K1 N1 O2 ANX ABX2 D(calc) 1.93 Title Neutron powder diffraction study of the low-temperature phases of K N O2 Author(s) Onoda-Yamamuro, N.;Honda, H.;Ikeda, R.;Yamamuro, O.;Matsuo, T.;Kamiyama, T.;Izumi, F. Reference Journal of Physics: Condensed Matter (1998), 10, 3341-3351 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 5.02790(4) 5.02790(4) 10.05587(8) 90. 90. 120. Vol 220.15 Z 3 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR4 Wyckoff i h b R Value 0.039 Red Cell RH 4.434 4.434 4.434 69.074 69.074 69.074 73.384 Trans Red 0.333 -0.330 -0.330 / -0.660 -0.330 -0.330 / 0.333 0.667 -0.330 Comments Stable from 264 to 315 K (2nd ref., Tomaszewski), above Fm3- m Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-1261 The structure has been assigned a PDF number (experimental powder diffraction data): 22-840 Rietveld profile refinement applied Temperature in Kelvin: 280 Atom # OX SITE x y z SOF H K 1 +1 3 b 0 0 0.5 1. 0 N 1 +3 18 h 0.04(2) -.04(2) -.01(6) 0.1667 0 O 1 -2 36 i 0.164(10) 0.233(5) -.023(2) 0.1667 0 *end for ICSD #86118 *data for ICSD #152185 Coll Code 152185 Rec Date 2006/10/01 Chem Name Sodium Nitrate(III) - Paraelectric Structured Na (N O2) Sum N1 Na1 O2 ANX ABX2 D(calc) 2.06 Title Diffuse scattering and ordering in the short-range modulated paraelectric phase of sodium nitrite Author(s) Lukaszewicz, K.;Pietraszko, A.;Kucharska, M. Reference Acta Crystallographica B (39,1983-) (2005), 61, 473-480 Unit Cell 3.661(3) 5.667(3) 5.372(4) 90. 90. 90. Vol 111.45 Z 2 Space Group I m m m SG Number 71 Cryst Sys orthorhombic Pearson oI8 Wyckoff l g2 Red Cell I 3.661 4.312 4.312 77.056 64.880 64.880 55.726 Trans Red 1.000 0.000 0.000 / 0.500 -0.500 0.500 / 0.500 -0.500 -0.500 Comments Antiferroelectric below 437.7 K Modulated structure Temperature in Kelvin: 442 Structure type : NaNO2 X-ray diffraction from single crystal No R value given in the paper. Atom # OX SITE x y z SOF H Na 1 +1 4 g 0. 0.540(1) 0. 0.5 0 N 1 +3 4 g 0. 0.062(1) 0. 0.5 0 O 1 -2 8 l 0. -0.048(14) 0.196(2) 0.5 0 *end for ICSD #152185 |
2楼2011-03-04 19:30:04
xiaoqiang0556
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3楼2011-03-04 19:58:48
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4楼2011-03-06 20:42:53









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