Pyroxene-ideal Thompson R M, Downs R T American Mineralogist 89 (2004) 614-628 Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside at 5.3 GPa after Levien and Prewitt (1981) with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304 _database_code_amcsd 0003481 CELL PARAMETERS: 9.6070 8.9390 5.1610 90.000 108.300 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 420.796 Density (g/cm3): 3.418 MAX. ABS. INTENSITY / VOLUME**2: 6.319623740 RIR: 0.602 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.46 4.79 4.5606 2 0 0 2 19.86 8.12 4.4695 0 2 0 2 20.28 10.80 4.3797 -1 1 1 4 27.00 77.90 3.3021 0 2 1 4 27.95 63.80 3.1921 2 2 0 4 29.86 100.00 2.9923 -2 2 1 4 31.00 81.47 2.8845 -3 1 1 4 31.07 85.47 2.8784 3 1 0 4 31.59 7.22 2.8324 1 3 0 4 35.01 82.86 2.5628 -1 3 1 4 35.74 5.03 2.5120 -2 0 2 2 36.27 2.28 2.4767 -1 1 2 4 36.68 78.57 2.4500 0 0 2 2 36.83 28.99 2.4405 2 2 1 4 38.22 4.59 2.3547 1 3 1 4 39.52 1.86 2.2803 4 0 0 2 40.36 7.17 2.2348 0 4 0 2 40.81 30.88 2.2113 3 1 1 4 41.22 4.46 2.1898 -2 2 2 4 42.06 8.42 2.1484 0 2 2 4 42.32 17.20 2.1357 1 1 2 4 42.43 49.07 2.1305 -3 3 1 4 42.48 3.68 2.1281 3 3 0 4 43.18 8.00 2.0951 -4 2 1 4 44.56 16.01 2.0333 0 4 1 4 44.61 8.50 2.0312 4 2 0 4 45.01 24.37 2.0141 -4 0 2 2 45.18 11.00 2.0068 2 4 0 4 46.47 20.75 1.9542 -2 4 1 4 47.31 13.03 1.9214 2 0 2 2 50.23 2.60 1.8164 -3 3 2 4 50.36 2.52 1.8119 3 3 1 4 51.10 2.23 1.7874 5 1 0 4 51.54 13.19 1.7731 2 4 1 4 51.65 1.93 1.7696 1 3 2 4 51.79 14.08 1.7652 2 2 2 4 52.13 4.53 1.7544 1 5 0 4 53.35 1.25 1.7173 -5 1 2 4 53.45 6.18 1.7144 4 2 1 4 54.87 4.07 1.6731 -1 1 3 4 55.00 6.61 1.6697 -2 4 2 4 55.67 1.09 1.6511 0 4 2 4 55.85 8.39 1.6460 -3 1 3 4 56.06 9.58 1.6405 3 1 2 4 56.59 3.22 1.6265 -4 4 1 4 57.12 31.19 1.6126 -5 3 1 4 57.45 23.23 1.6040 -2 2 3 4 59.99 6.85 1.5420 -3 5 1 4 60.03 2.22 1.5411 3 5 0 4 60.79 16.49 1.5237 -6 0 2 2 60.94 15.39 1.5202 6 0 0 2 62.03 2.12 1.4961 -4 4 2 4 62.32 23.15 1.4898 0 6 0 2 62.85 19.35 1.4787 -1 3 3 4 63.75 3.21 1.4599 -3 3 3 4 63.90 4.19 1.4569 2 4 2 4 63.91 2.47 1.4566 4 0 2 2 64.62 2.52 1.4422 -6 2 2 4 65.35 2.71 1.4280 4 4 1 4 66.31 6.17 1.4095 -3 5 2 4 66.43 6.97 1.4074 3 5 1 4 67.92 40.80 1.3801 5 3 1 4 68.93 13.17 1.3623 -2 4 3 4 69.13 5.93 1.3588 1 3 3 4 69.36 1.27 1.3548 -7 1 1 4 71.29 11.34 1.3229 -7 1 2 4 71.71 8.88 1.3162 -5 3 3 4 73.44 2.46 1.2894 7 1 0 4 73.48 1.12 1.2888 -2 0 4 2 73.97 1.86 1.2814 -2 6 2 4 74.28 2.49 1.2768 5 5 0 4 74.55 25.65 1.2730 0 6 2 4 74.64 6.97 1.2716 -3 1 4 4 74.76 4.24 1.2699 5 1 2 4 74.89 1.83 1.2680 3 1 3 4 75.73 5.67 1.2560 -4 0 4 2 76.36 1.35 1.2472 4 6 0 4 77.01 3.20 1.2383 -2 2 4 4 77.39 1.68 1.2332 -1 5 3 4 78.00 5.20 1.2250 0 0 4 2 78.21 2.56 1.2222 -3 5 3 4 78.36 1.26 1.2203 4 4 2 4 78.39 6.50 1.2199 3 5 2 4 79.03 1.54 1.2115 -7 1 3 4 80.13 2.19 1.1978 -4 6 2 4 81.77 3.62 1.1778 -3 7 1 4 81.81 1.34 1.1774 3 7 0 4 81.81 3.13 1.1774 2 6 2 4 83.67 2.45 1.1558 -8 2 1 4 84.53 3.22 1.1462 -8 2 2 4 84.58 5.13 1.1457 -6 0 4 2 85.00 1.79 1.1411 6 0 2 2 85.09 1.25 1.1401 8 0 0 2 87.44 2.32 1.1155 -3 7 2 4 87.54 1.19 1.1144 3 7 1 4 88.50 1.19 1.1048 8 2 0 4 89.02 1.84 1.0997 2 0 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.