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nanotube木虫 (小有名气)
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求：氯化铵的晶胞参数
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求：氯化铵的晶胞参数 希望大家帮忙！ |
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*data for ICSD #22141 Coll Code 22141 Rec Date 1986/10/09 Mod Date 2006/04/01 Chem Name Ammonium Chloride - Alpha Structured (N H4) Cl Sum H4 Cl1 N1 ANX XY Min Name Sal-ammoniac D(calc) 1.52 Title X-ray measurement of the thermal expansion of ammoniumchloride Author(s) Sirdeshmukh, D.B.;Deshpande, V.T. Reference Acta Crystallographica A (24,1968-38,1982) (1970), 26, 295-295 Phase Transition (1992), 38, 127-220 Unit Cell 3.8771(2) 3.8771(2) 3.8771(2) 90. 90. 90. Vol 58.28 Z 1 Space Group P m -3 m SG Number 221 Cryst Sys cubic Pearson cP6 Wyckoff b a Red Cell P 3.877 3.877 3.877 90 90 90 58.28 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Stable from 242 to 457 K (2nd ref., Tomaszewski), above Fm3- m, below P4-3m Compound with mineral name: Sal-ammoniac The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-0365 The structure has been assigned a PDF number (experimental powder diffraction data): 34-710 Temperature in Kelvin: 304.5 Structure type : CsCl X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Position of 4 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H N 1 -3 1 a 0 0 0 1. H4 Cl 1 -1 1 b 0.5 0.5 0.5 1. 0 *end for ICSD #22141 *data for ICSD #23984 Coll Code 23984 Rec Date 1980/01/01 Mod Date 2006/04/01 Chem Name Ammonium Chloride - Beta, Ht Structured (N H4) Cl Sum H4 Cl1 N1 ANX XY Min Name Sal-ammoniac high D(calc) 1.27 Title The crystal structure of the ammonium halides above and below the transition temperature Author(s) Bartlett, G.;Langmuir, I. Reference Journal of the American Chemical Society (1921), 43, 84-91 Advances in X-Ray Analysis (1966), 9, 159-169 Journal of Physical Chemistry (1959), 63, 1344-1344 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 6.533(23) 6.533(23) 6.533(23) 90. 90. 90. Vol 278.83 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF24 Wyckoff b a Red Cell F 4.619 4.619 4.619 60 60 60 69.707 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Stable above 457 K (4th ref., Tomaszewski), 242-458 K: Pm3- m, below P4-3m Same data in 2nd and 3rd ref. (Callanan & Smith) Compound with mineral name: Sal-ammoniac high The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-1492 The structure has been assigned a PDF number (experimental powder diffraction data): 34-645 Temperature in Kelvin: 523 Structure type : NaCl X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Position of 16 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H N 1 -3 4 a 0 0 0 1. H4 Cl 1 -1 4 b 0.5 0.5 0.5 1. 0 *end for ICSD #23984 |
2楼2008-09-27 00:38:31
