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Name and formula Reference code: 00-037-1492 Mineral name: Molybdenite-2H, syn Compound name: Molybdenum Sulfide PDF index name: Molybdenum Sulfide Empirical formula: MoS2 Chemical formula: MoS2 Crystallographic parameters Crystal system: Hexagonal Space group: P63/mmc Space group number: 194 a (?): 3.1612 b (?): 3.1612 c (?): 12.2985 Alpha (¡ã): 90.0000 Beta (¡ã): 90.0000 Gamma (¡ã): 120.0000 Volume of cell (10^6 pm^3): 106.43 Z: 2.00 RIR: - Subfiles and quality Subfiles: Alloy, metal or intermetalic Common Phase Corrosion Educational pattern Forensic Inorganic Mineral NBS pattern Quality: Star (S) Comments Color: Dark gray Creation Date: 1970/1/1 Modification Date: 1970/1/1 Sample Source or Locality: The sample was obtained from Aesar, a branch of Johnson Matthey Inc., Seabrook, New Hampshire, USA. It was labelled 98% MoS2 Additional Patterns: See ICSD 31067 (PDF 01-075-1539) Color: Dark gray Structures: The structure was determined by Dickinson and Pauling (1) Temperature of Data Collection: The mean temperature of data collection was 25.8?. A rhombohedral form of molybdenite, with 'c' multiplied by 1.5, was found as a natural mineral (Traill, 2) Additional Patterns: To replace 00-006-0097, Swanson et al. (3). References to other early patterns will be found in Swanson et al., (3). References Primary reference: McMurdie, H., Morris, M., Evans, E., Paretzkin, B., Wong-Ng, W., Hubbard, C., Powder Diffraction, 1, 269, (1986) Structure: 1. Dickinson, R., Pauling, L., J. Am. Chem. Soc., 45, 1466, (1923) Other: 3. Swanson, H., Gilfrich, N., Ugrinic, G., Natl. Bur. Stand. (U.S.), Circ. 539, 5, 47, (1955) Peak list No. h k l d [A] 2Theta[deg] I [%] 1 0 0 2 6.15536 14.378 100.0 2 0 0 4 3.07372 29.027 2.0 3 1 0 0 2.73824 32.677 22.0 4 1 0 1 2.67213 33.509 12.0 5 1 0 2 2.50141 35.871 10.0 6 1 0 3 2.27739 39.539 58.0 7 0 0 6 2.04956 44.152 11.0 8 1 0 5 1.82995 49.788 29.0 9 1 0 6 1.64137 55.978 4.0 10 1 1 0 1.58052 58.336 14.0 11 0 0 8 1.53721 60.146 12.0 12 1 0 7 1.47816 62.815 2.0 13 1 1 4 1.40550 66.468 1.0 14 2 0 0 1.36910 68.476 3.0 15 2 0 1 1.36006 68.995 2.0 16 1 0 8 1.34057 70.144 5.0 17 2 0 3 1.29822 72.790 7.0 18 1 1 6 1.25142 75.982 7.0 19 0 0 10 1.22970 77.572 2.0 20 1 0 9 1.22245 78.119 2.0 21 2 0 5 1.19611 80.182 4.0 22 2 0 6 1.13836 85.169 1.0 23 1 0 10 1.12200 86.714 1.0 24 1 1 8 1.10182 88.712 10.0 25 2 0 7 1.07990 91.009 1.0 26 1 0 11 1.03503 96.186 9.0 27 2 0 8 1.02215 97.808 3.0 28 2 1 3 1.00321 100.320 6.0 29 1 1 10 0.97069 105.039 2.0 30 2 0 9 0.96697 105.616 1.0 31 2 1 5 0.95373 107.738 5.0 32 3 0 0 0.91255 115.155 3.0 33 3 0 2 0.90263 117.165 1.0 34 1 0 13 0.89415 118.969 5.0 35 3 0 3 0.89081 119.702 1.0 36 0 0 14 0.87846 122.534 1.0 37 2 0 11 0.86579 125.674 4.0 38 2 1 8 0.85837 127.636 2.0 39 1 0 14 0.83651 134.102 1.0 40 3 0 6 0.83373 135.011 1.0 |
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