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2007200520新蟲 (小有名氣)
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【求助】求助V5Si3的完整晶體學(xué)數(shù)據(jù)
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| 請有相關(guān)數(shù)據(jù)的高手幫忙。。。。。 |
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V5Si3的完整晶體學(xué)數(shù)據(jù) 一共有2個(gè)不同的空間群的cif文件 http://d.namipan.com/d/9c4c9f64f ... c66f18f039697080000 http://d.namipan.com/d/1a701653c ... 7f673b3fbf168070000 |

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*data for ICSD #652501 Coll Code 652501 Rec Date 2008/08/01 Chem Name Vanadium Silicide (5/3) Structured V5 Si3 Sum Si3 V5 ANX N3O5 D(calc) 5.27 Title Neue Silizide vom M5Si3-Typ mit D 88-Struktur Author(s) Schachner, H.;Cerwenka, E.;Nowotny, H. Reference Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) (1954), 85, 245-245 Unit Cell 7.1350 7.1350 4.8420 90.0 90.0 120.0 Vol 213.47 Z 2 Space Group P 63/m c m SG Number 193 Cryst Sys hexagonal Pearson hP16 Wyckoff g2 d Red Cell P 4.842 7.135 7.135 120 90 90 213.473 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Structure type : Mn5Si3 X-ray diffraction from single crystal \N No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Si 1 +0 6 g 0.61000 0 0.25 1.000 0 V 1 +0 4 d 0.3333 0.6667 0 1.000 0 V 2 +0 6 g 0.25 0 0.25 1.000 0 *end for ICSD #652501 |

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*data for ICSD #652485 Coll Code 652485 Rec Date 2008/07/07 Mod Date 2009/08/01 Chem Name Vanadium Silicide (5/3) Structured V5 Si3 Sum Si3 V5 ANX N3O5 D(calc) 5.32 Title The crystal structure of Mo5 Si3 and W5 Si3 Author(s) Aronsson, B. Reference Acta Chemica Scandinavica (1-27,1973-42,1988) (1955), 9, 1107-1110 Unit Cell 9.4290 9.4290 4.7560 90.0 90.0 90.0 Vol 422.84 Z 4 Space Group I 4/m c m SG Number 140 Cryst Sys tetragonal Pearson tI32 Wyckoff k h b a Red Cell I 4.756 7.078 7.078 83.520 70.370 70.370 211.419 Trans Red 0.000 0.000 1.000 / -0.500 -0.500 0.500 / 0.500 -0.500 0.500 Comments Structure type : W5Si3 X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Si 1 +0 4 a 0 0 0.25 1.000 0 Si 2 +0 8 h 0.17000 0.67000 0 1.000 0 V 1 +0 4 b 0 0.5 0.25 1.000 0 V 2 +0 16 k 0.07400 0.22300 0 1.000 0 *end for ICSD #652485 |

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