CaSiO3 Trojer F J Zeitschrift fur Kristallographie 130 (1969) 185-206 The crystal structure of a high pressure polymorph of CaSiO3 Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C Locality: synthetic _database_code_amcsd 0010698 CELL PARAMETERS: 6.6950 9.2570 6.6660 86.500 76.133 70.383 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 377.723 Density (g/cm3): 3.064 MAX. ABS. INTENSITY / VOLUME**2: 6.529937947 RIR: 0.694 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.15 12.01 8.7177 0 1 0 2 13.69 3.02 6.4703 0 0 1 2 14.65 2.74 6.0466 1 1 0 2 17.24 1.67 5.1436 0 1 1 2 17.45 4.22 5.0816 1 0 1 2 17.79 35.09 4.9850 1 1 1 2 20.37 1.97 4.3589 0 2 0 2 20.72 9.96 4.2863 1 2 0 2 22.41 7.16 3.9675 1 -1 1 2 23.21 2.26 3.8328 1 2 1 2 24.87 7.65 3.5800 0 2 1 2 26.53 1.51 3.3603 -1 -2 1 2 27.62 1.99 3.2298 2 1 1 2 28.02 27.80 3.1841 1 0 2 2 28.35 39.89 3.1481 1 1 2 2 29.12 61.55 3.0663 2 0 0 2 29.18 14.26 3.0608 2 0 1 2 29.24 44.69 3.0542 0 -1 2 2 29.55 11.07 3.0233 2 2 0 2 29.66 17.86 3.0122 0 1 2 2 29.81 52.30 2.9975 2 2 1 2 30.26 7.98 2.9534 1 -2 1 2 30.77 100.00 2.9059 0 3 0 2 31.27 6.79 2.8604 1 3 1 2 32.21 9.59 2.7790 1 2 2 2 33.67 10.39 2.6617 -1 2 1 2 33.68 8.97 2.6612 -1 -3 1 2 33.70 4.95 2.6598 -2 -1 1 2 34.01 6.11 2.6358 2 -1 1 2 34.06 7.19 2.6324 -2 1 0 2 34.09 5.86 2.6301 0 3 1 2 34.11 21.37 2.6282 2 1 2 2 34.13 13.06 2.6271 -1 -1 2 2 34.16 12.56 2.6246 0 -2 2 2 34.22 4.02 2.6204 -1 0 2 2 34.79 21.66 2.5785 2 3 0 2 34.89 16.07 2.5718 0 2 2 2 35.11 1.01 2.5561 2 3 1 2 35.19 13.16 2.5504 -2 0 1 2 35.33 1.30 2.5408 2 0 2 2 35.37 11.46 2.5377 -2 -2 1 2 37.12 7.61 2.4220 -1 -2 2 2 37.37 15.01 2.4064 -1 1 2 2 37.41 1.34 2.4039 1 -2 2 2 38.66 3.66 2.3288 1 3 2 2 39.01 5.06 2.3092 1 4 0 2 39.42 13.55 2.2861 2 -1 2 2 39.49 4.47 2.2817 1 -3 1 2 39.86 5.03 2.2615 -2 -3 1 2 40.62 5.76 2.2212 1 4 1 2 40.82 5.69 2.2105 3 1 1 2 41.00 9.02 2.2016 1 0 3 2 41.11 8.23 2.1955 2 -2 1 2 41.14 6.61 2.1942 3 2 1 2 41.31 5.13 2.1856 1 1 3 2 41.32 1.04 2.1850 0 -3 2 2 41.92 11.81 2.1553 3 1 0 2 42.15 6.99 2.1439 3 2 0 2 42.17 3.50 2.1431 2 4 0 2 42.24 3.90 2.1394 0 3 2 2 42.41 1.43 2.1316 -1 3 1 2 42.63 1.87 2.1207 -1 -3 2 2 42.99 10.92 2.1041 0 -1 3 2 43.01 5.13 2.1032 -1 2 2 2 43.44 1.03 2.0833 0 1 3 2 43.96 23.92 2.0595 -2 -1 2 2 44.13 1.35 2.0523 0 4 1 2 44.56 3.10 2.0335 3 1 2 2 44.98 1.15 2.0155 3 3 0 2 45.24 2.16 2.0043 -2 -2 2 2 45.32 14.37 2.0011 1 -3 2 2 45.42 1.45 1.9967 2 0 3 2 45.74 6.08 1.9838 2 -2 2 2 46.49 3.96 1.9533 -2 -4 1 2 46.59 3.50 1.9496 0 -2 3 2 46.82 8.94 1.9404 1 4 2 2 47.43 7.85 1.9170 0 2 3 2 47.57 2.44 1.9116 -3 -1 1 2 47.71 3.85 1.9063 -3 -2 1 2 47.72 3.62 1.9058 -1 -1 3 2 47.76 3.55 1.9044 3 3 2 2 47.86 1.17 1.9007 -1 0 3 2 47.92 1.15 1.8982 3 -1 1 2 48.08 1.60 1.8924 1 -2 3 2 48.74 1.43 1.8682 2 -1 3 2 48.91 4.26 1.8622 -2 1 2 2 49.45 1.27 1.8432 1 3 3 2 49.71 4.92 1.8341 2 -3 1 2 49.81 1.15 1.8305 -3 0 1 2 49.88 16.78 1.8283 -2 3 0 2 49.96 13.44 1.8256 0 -4 2 2 50.00 1.35 1.8240 -1 -4 2 2 50.05 1.92 1.8225 3 4 0 2 50.10 3.95 1.8207 2 3 3 2 50.22 1.30 1.8166 -3 -3 1 2 50.36 1.19 1.8118 -1 1 3 2 50.96 2.94 1.7922 2 5 0 2 51.02 3.05 1.7900 0 4 2 2 51.12 1.61 1.7869 3 -1 2 2 51.32 6.09 1.7803 2 5 1 2 52.17 4.23 1.7532 -1 4 1 2 52.18 5.49 1.7529 -1 -5 1 2 52.69 6.35 1.7373 3 2 3 2 52.76 1.99 1.7351 3 4 2 2 53.44 6.91 1.7145 0 3 3 2 54.15 6.39 1.6939 3 0 3 2 54.17 6.18 1.6932 -2 3 1 2 54.23 1.33 1.6914 -3 1 1 2 54.61 8.97 1.6804 -2 2 2 2 54.62 12.07 1.6802 -2 -4 2 2 54.69 1.65 1.6784 -2 -5 1 2 54.88 1.11 1.6730 4 2 1 2 55.25 1.95 1.6626 1 0 4 2 55.28 6.44 1.6617 3 3 3 2 55.72 3.99 1.6497 2 5 2 2 56.28 1.36 1.6346 4 3 1 2 56.32 1.22 1.6336 3 5 1 2 56.94 9.15 1.6173 3 5 0 2 57.03 5.73 1.6149 4 2 2 2 57.23 5.01 1.6097 2 1 4 2 57.48 1.33 1.6033 4 1 0 2 57.75 1.08 1.5965 0 -1 4 2 57.92 1.11 1.5920 2 0 4 2 58.01 1.20 1.5898 1 2 4 2 58.09 9.66 1.5879 3 -1 3 2 58.55 1.28 1.5766 4 0 1 2 58.77 2.74 1.5712 -1 -5 2 2 59.43 2.58 1.5553 2 -4 1 2 59.64 4.21 1.5503 -2 4 0 2 59.71 6.23 1.5486 0 -5 2 2 59.90 1.30 1.5442 3 4 3 2 60.64 1.05 1.5271 0 -2 4 2 60.83 1.36 1.5227 2 6 0 2 60.89 1.02 1.5214 0 5 2 2 61.33 1.32 1.5116 4 4 0 2 61.58 2.16 1.5061 0 2 4 2 62.44 4.63 1.4873 1 3 4 2 62.73 2.96 1.4812 -1 0 4 2 62.81 1.31 1.4794 -1 5 1 2 62.82 1.37 1.4792 -1 -6 1 2 62.94 2.40 1.4767 2 -4 2 2 63.33 3.08 1.4685 -4 -3 1 2 63.45 1.79 1.4661 4 1 3 2 63.54 1.23 1.4642 -2 4 1 2 64.09 1.80 1.4530 0 6 0 2 64.60 2.14 1.4426 3 0 4 2 65.10 4.79 1.4328 4 5 1 2 65.18 1.31 1.4312 4 -1 2 2 65.23 1.51 1.4302 2 6 2 2 65.37 1.25 1.4275 2 -2 4 2 65.79 1.23 1.4195 -4 0 1 2 65.96 1.82 1.4162 -2 2 3 2 66.55 1.05 1.4052 4 5 0 2 66.69 2.48 1.4025 1 -3 4 2 67.22 7.71 1.3927 4 5 2 2 67.40 6.66 1.3895 2 4 4 2 68.33 1.21 1.3727 -3 3 1 2 68.56 5.80 1.3687 -3 -2 3 2 68.63 2.18 1.3675 1 4 4 2 68.72 3.03 1.3660 -1 -6 2 2 69.07 1.54 1.3598 -3 -5 2 2 69.31 2.79 1.3557 -1 5 2 2 69.93 1.60 1.3452 4 -2 1 2 70.45 1.35 1.3365 -4 1 1 2 70.47 2.84 1.3363 -3 0 3 2 70.47 2.69 1.3362 -3 -3 3 2 70.80 1.03 1.3308 -2 4 2 2 70.86 1.49 1.3299 -4 -2 2 2 71.04 2.84 1.3270 -2 -1 4 2 71.31 3.26 1.3225 3 -3 3 2 71.71 2.34 1.3162 -4 2 0 2 71.89 1.17 1.3133 5 3 2 2 71.91 1.82 1.3129 -4 -3 2 2 71.95 1.49 1.3123 0 -4 4 2 72.03 1.16 1.3110 5 1 1 2 72.35 1.09 1.3061 4 1 4 2 72.39 1.71 1.3054 1 -1 5 2 72.57 1.28 1.3026 2 6 3 2 73.21 1.56 1.2928 4 3 4 2 73.23 1.54 1.2925 -3 4 0 2 73.35 1.14 1.2907 2 -5 2 2 73.36 1.29 1.2906 1 2 5 2 73.66 1.63 1.2860 -1 -4 4 2 74.07 1.52 1.2799 -2 5 1 2 74.23 1.34 1.2776 -3 1 3 2 74.39 1.15 1.2752 -4 0 2 2 74.72 4.74 1.2704 4 0 4 2 74.73 1.37 1.2703 -2 -7 1 2 74.78 2.57 1.2696 -1 3 4 2 76.43 1.72 1.2462 4 4 4 2 78.05 1.05 1.2243 1 7 2 2 78.06 1.79 1.2242 4 -3 1 2 78.11 2.05 1.2235 -4 -6 1 2 78.61 1.49 1.2171 0 -6 3 2 79.82 1.44 1.2016 -4 3 0 2 80.06 1.95 1.1986 0 -5 4 2 80.48 1.76 1.1933 0 6 3 2 80.57 1.65 1.1923 5 0 3 2 80.80 1.56 1.1895 3 -1 5 2 80.99 1.28 1.1871 -2 -7 2 2 82.31 1.31 1.1714 -2 6 0 2 82.92 1.09 1.1643 1 -5 4 2 84.85 1.10 1.1428 -4 3 1 2 86.09 1.65 1.1294 3 8 0 2 86.97 1.08 1.1203 -3 3 3 2 86.98 1.43 1.1201 -3 -6 3 2 87.12 1.07 1.1187 -1 7 1 2 87.13 1.77 1.1186 -1 -8 1 2 87.42 1.13 1.1156 -5 -2 2 2 87.92 3.12 1.1106 2 8 2 2 88.31 1.28 1.1067 -2 -2 5 2 89.71 1.16 1.0930 -1 -6 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.