Molybdite Sitepu H Powder Diffraction 24 (2009) 315-326 Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model Locality: synthetic _database_code_amcsd 0018894 CELL PARAMETERS: 3.9624 13.8600 3.6971 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 203.041 Density (g/cm3): 4.708 MAX. ABS. INTENSITY / VOLUME**2: 69.96470254 RIR: 4.839 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.77 31.24 6.9300 0 2 0 2 23.35 74.63 3.8098 1 1 0 4 25.71 34.69 3.4650 0 4 0 2 25.90 24.11 3.4398 1 2 0 4 27.34 100.00 3.2619 0 2 1 4 29.70 6.23 3.0077 1 3 0 4 33.14 14.61 2.7032 1 0 1 4 33.78 27.32 2.6532 1 1 1 8 34.38 2.92 2.6084 1 4 0 4 35.51 7.66 2.5282 0 4 1 4 38.59 8.97 2.3331 1 3 1 8 38.99 21.83 2.3100 0 6 0 2 39.68 13.73 2.2714 1 5 0 4 42.41 7.63 2.1313 1 4 1 8 45.45 1.70 1.9956 1 6 0 4 45.80 8.80 1.9812 2 0 0 2 46.29 7.30 1.9613 2 1 0 4 46.35 7.77 1.9590 0 6 1 4 49.30 17.06 1.8485 0 0 2 2 50.10 10.26 1.8208 2 3 0 4 51.14 1.56 1.7861 0 2 2 4 51.60 2.10 1.7712 1 7 0 4 52.08 4.19 1.7561 1 6 1 8 52.84 14.42 1.7326 2 1 1 8 53.26 1.95 1.7199 2 4 0 4 54.16 6.61 1.6933 2 2 1 8 55.23 12.02 1.6631 1 1 2 8 56.32 2.22 1.6335 2 3 1 8 56.42 6.94 1.6310 0 4 2 4 56.52 4.84 1.6283 1 2 2 8 57.71 13.34 1.5973 1 7 1 8 58.11 2.23 1.5874 1 8 0 4 58.62 1.55 1.5749 1 3 2 8 58.87 12.78 1.5688 0 8 1 4 61.48 1.02 1.5082 1 4 2 8 61.68 3.39 1.5039 2 6 0 4 62.90 10.91 1.4775 2 5 1 8 64.57 7.61 1.4433 0 6 2 4 64.97 3.21 1.4354 1 9 0 4 65.05 6.44 1.4337 1 5 2 8 66.80 4.69 1.4005 2 7 0 4 67.20 1.17 1.3930 2 6 1 8 67.59 3.08 1.3860 0 10 0 2 69.55 3.71 1.3516 2 0 2 4 69.93 3.58 1.3452 2 1 2 8 72.91 4.03 1.2974 3 2 0 4 72.92 6.06 1.2972 2 3 2 8 74.14 1.10 1.2789 1 7 2 8 75.50 1.27 1.2592 2 4 2 8 76.60 4.07 1.2438 3 0 1 4 77.37 1.91 1.2333 1 10 1 8 77.63 3.18 1.2299 2 8 1 8 78.90 3.67 1.2133 0 2 3 4 79.60 1.63 1.2043 1 8 2 8 82.21 1.67 1.1725 1 1 3 8 82.38 3.60 1.1707 3 4 1 8 82.73 2.39 1.1666 2 6 2 8 83.74 3.90 1.1550 2 9 1 8 84.91 3.20 1.1420 1 11 1 8 85.07 1.51 1.1404 1 3 3 8 85.68 2.83 1.1337 1 9 2 8 87.36 4.27 1.1163 2 7 2 8 88.09 2.86 1.1089 0 10 2 4 88.74 2.91 1.1025 0 12 1 4 89.49 3.08 1.0951 3 6 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.