Monticellite Pilati T, Demartin F, Gramaccioli C M Acta Crystallographica B51 (1995) 721-733 Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Locality: Crestmore, California, USA _database_code_amcsd 0019700 CELL PARAMETERS: 11.1098 6.3894 4.8281 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 342.723 Density (g/cm3): 3.105 MAX. ABS. INTENSITY / VOLUME**2: 10.15060459 RIR: 1.064 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.95 17.13 5.5549 2 0 0 2 21.19 28.44 4.1921 2 1 0 4 23.09 14.00 3.8520 0 1 1 4 24.43 17.69 3.6440 2 0 1 4 24.46 49.61 3.6395 1 1 1 8 27.93 24.82 3.1947 0 2 0 2 28.19 9.87 3.1654 2 1 1 8 30.42 50.06 2.9384 3 0 1 4 32.23 2.80 2.7775 4 0 0 2 32.33 8.26 2.7694 2 2 0 4 33.57 100.00 2.6696 3 1 1 8 34.62 76.51 2.5908 1 2 1 8 35.23 24.50 2.5472 4 1 0 4 37.25 1.71 2.4141 0 0 2 2 37.35 14.27 2.4075 4 0 1 4 37.44 22.74 2.4022 2 2 1 8 38.15 8.74 2.3590 1 0 2 4 40.02 1.18 2.2529 4 1 1 8 40.75 1.62 2.2140 2 0 2 4 40.77 7.17 2.2130 1 1 2 8 41.77 2.90 2.1627 3 2 1 8 43.25 2.52 2.0920 2 1 2 8 44.82 1.63 2.0223 3 0 2 4 44.91 2.22 2.0185 5 0 1 4 47.19 1.28 1.9260 0 2 2 4 47.22 2.21 1.9247 5 1 1 8 47.36 9.00 1.9193 1 3 1 8 47.94 2.77 1.8977 1 2 2 8 49.58 4.32 1.8388 2 3 1 8 50.06 24.91 1.8220 4 0 2 4 50.13 59.00 1.8197 2 2 2 8 51.38 8.56 1.7785 6 1 0 4 52.21 11.08 1.7522 4 1 2 8 52.96 2.79 1.7289 6 0 1 4 53.11 22.11 1.7245 3 3 1 8 53.72 9.68 1.7064 5 2 1 8 54.28 11.49 1.6901 4 3 0 4 57.53 32.90 1.6020 6 2 0 4 57.71 23.15 1.5974 0 4 0 2 57.80 1.09 1.5952 4 3 1 8 57.90 2.99 1.5927 1 0 3 4 58.25 4.20 1.5838 5 1 2 8 58.30 2.43 1.5827 4 2 2 8 58.37 1.38 1.5808 1 3 2 8 59.83 1.43 1.5458 2 0 3 4 59.85 7.06 1.5454 1 1 3 8 60.29 1.02 1.5351 2 4 0 4 61.50 14.31 1.5077 7 0 1 4 61.74 3.32 1.5025 2 1 3 8 62.97 2.55 1.4760 3 0 3 4 63.97 2.51 1.4554 5 2 2 8 64.83 2.45 1.4381 3 1 3 8 65.48 4.25 1.4254 1 2 3 8 66.64 7.17 1.4034 3 4 1 8 66.97 1.18 1.3974 6 3 0 4 67.23 3.96 1.3925 4 0 3 4 67.29 13.11 1.3915 2 2 3 8 67.66 1.95 1.3847 4 4 0 4 67.67 1.89 1.3845 4 3 2 8 68.86 2.93 1.3635 7 2 1 8 69.03 2.25 1.3606 4 1 3 8 70.56 2.34 1.3348 6 2 2 8 70.72 2.53 1.3321 0 4 2 4 71.30 1.59 1.3227 1 4 2 8 72.95 1.95 1.2968 5 3 2 8 74.26 1.05 1.2771 5 1 3 8 74.30 1.76 1.2765 4 2 3 8 74.37 1.98 1.2755 1 3 3 8 74.50 4.42 1.2736 8 2 0 4 76.08 1.03 1.2510 2 3 3 8 76.49 1.39 1.2454 2 5 0 4 77.23 1.07 1.2353 0 5 1 4 77.51 2.22 1.2315 8 2 1 8 78.79 1.66 1.2147 6 0 3 4 78.91 1.63 1.2132 3 3 3 8 79.20 1.97 1.2094 6 3 2 8 79.39 3.22 1.2070 0 0 4 2 79.41 5.81 1.2068 5 2 3 8 79.65 1.25 1.2038 8 0 2 4 79.86 6.26 1.2011 4 4 2 8 80.49 1.78 1.1933 6 1 3 8 81.34 1.92 1.1829 8 1 2 8 81.96 1.12 1.1755 9 1 1 8 82.27 5.66 1.1719 3 5 1 8 82.82 3.41 1.1655 4 3 3 8 83.22 1.09 1.1609 4 5 0 4 86.03 3.05 1.1300 7 0 3 4 86.24 1.17 1.1279 1 4 3 8 86.67 2.34 1.1233 1 2 4 8 86.99 5.72 1.1200 9 2 1 8 87.81 1.38 1.1117 5 3 3 8 87.90 1.97 1.1108 2 4 3 8 88.28 1.35 1.1070 4 0 4 4 88.33 3.13 1.1065 2 2 4 8 89.35 9.32 1.0964 7 4 1 8 89.55 3.57 1.0946 10 1 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.