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[求助]
求二硒化鉬的cif文件
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謝謝,如題 發(fā)自小木蟲Android客戶端 |
金蟲 (正式寫手)
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*data for ICSD #16948 Coll Code 16948 Rec Date 1980/01/01 Chem Name Molybdenum Diselenide - High-pressure High-temperature Phase Polymorph Structured Mo Se2 Sum Mo1 Se2 ANX AX2 D(calc) 6.95 Title Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature Polymorph Author(s) Towle, L.C.;Oberbeck, V.;Brown, B.E.;Stajdohar, R.E. Reference Science (1966), 154, 895-896 Unit Cell 3.292 3.292 19.392 90. 90. 120. Vol 182 Z 3 Space Group R 3 m H SG Number 160 Cryst Sys trigonal/rhombohedral Pearson hR3 Wyckoff a3 Red Cell RH 3.292 3.292 6.737 75.859 75.859 60 60.667 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-072-1420 Structure type : MoS2(3R) X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Mo 1 +4 3 a 0.3333 0.6667 0 1. 0 Se 1 -2 3 a 0.6667 0.3333 0.083 1. 0 Se 2 -2 3 a 0.3333 0.6667 0.25 1. 0 *end for ICSD #16948 |
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