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急求JPCDS No. 86-0666卡片的详细信息 已有1人参与
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| 急求JPCDS No. 86-0666卡片的详细信息，感谢！ |
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紫月仙人1992: 金币+5, ★★★★★最佳答案 2015-11-21 10:15:29
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紫月仙人1992: 金币+5, ★★★★★最佳答案 2015-11-21 10:15:29
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Name and formula Reference code: 01-086-0666 Compound name: Potassium Manganese Oxide Hydrate Empirical formula: H1.08K0.27MnO2.54 Chemical formula: K0.27MnO2 ( H2O )0.54 Crystallographic parameters Crystal system: Rhombohedral Space group: R-3m Space group number: 166 a (?): 2.8490 b (?): 2.8490 c (?): 21.5360 Alpha (°): 90.0000 Beta (°): 90.0000 Gamma (°): 120.0000 Calculated density (g/cm^3): 3.53 Volume of cell (10^6 pm^3): 151.38 Z: 3.00 RIR: 7.91 Subfiles and quality Subfiles: Corrosion ICSD Pattern Inorganic Quality: Calculated (C) Comments ICSD collection code: 081367 Creation Date: 1970/1/1 Modification Date: 1970/1/1 ICSD Collection Code: 081367 Calculated Pattern Original Remarks: ATOM H 1 +1. 3.24 Atoms not located in unit cell. Published data has been corrected through correspondence with the author Test from ICSD: No R value given Test from ICSD: Published coordinates have been corrected Temperature Factor: ITF. Hydrothermal synthesis and characterization of Kx Mn O2 . y(H2 O). d c a (R3-MH). AB3X8. References Primary reference: Calculated from ICSD using POWD-12++, (1997) Structure: Chen, R., Zavalij, P., Whittingham, M.S., Chem. Mater., 8, 1275, (1996) Peak list No. h k l d [A] 2Theta[deg] I [%] 1 0 0 3 7.17867 12.320 100.0 2 0 0 6 3.58933 24.785 25.4 3 1 0 1 2.45127 36.631 5.5 4 0 1 2 2.40498 37.361 8.3 5 1 0 4 2.24300 40.171 1.0 6 0 1 5 2.14093 42.175 15.2 7 1 0 7 1.92480 47.181 2.1 8 0 1 8 1.81891 50.111 8.1 9 0 0 12 1.79467 50.836 0.7 10 1 0 10 1.62247 56.689 1.7 11 0 1 11 1.53365 60.300 4.2 12 0 0 15 1.43573 64.894 0.1 13 1 1 0 1.42450 65.470 2.7 14 1 1 3 1.39726 66.912 5.0 15 1 0 13 1.37536 68.121 2.0 16 1 1 6 1.32404 71.152 1.9 17 0 1 14 1.30536 72.329 1.0 18 0 2 1 1.23163 77.428 0.2 19 2 0 2 1.22564 77.877 1.0 20 1 1 9 1.22403 77.999 1.0 21 0 2 4 1.20249 79.671 0.3 22 0 0 18 1.19644 80.156 0.2 23 2 0 5 1.18597 81.009 0.8 24 1 0 16 1.18161 81.371 1.2 25 0 2 7 1.14503 84.557 0.1 26 0 1 17 1.12696 86.239 0.3 27 2 0 8 1.12150 86.762 1.1 28 1 1 12 1.11575 87.322 0.3 |
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