Wollastonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120016 Ohashi Y Physics and Chemistry of Minerals 10 (1984) 217-229 Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO1T _database_code_amcsd 0007359 CELL PARAMETERS: 7.9330 7.3230 7.0720 90.060 95.190 103.420 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.19831 0.42266 0.76060 1.000 1.300 Ca 0.20241 0.92919 0.76401 1.000 1.300 Ca 0.50333 0.75040 0.52691 1.000 1.300 Si 0.18510 0.38750 0.26840 1.000 0.500 Si 0.18490 0.95420 0.26910 1.000 0.500 Si 0.39730 0.72360 0.05610 1.000 0.500 O 0.30340 0.46160 0.46280 1.000 1.000 O 0.30140 0.93850 0.46410 1.000 1.000 O 0.57050 0.76880 0.19880 1.000 1.000 O 0.98320 0.37390 0.26550 1.000 1.000 O 0.98190 0.86770 0.26480 1.000 1.000 O 0.40180 0.72660 0.82960 1.000 1.000 O 0.21830 0.17850 0.22540 1.000 1.000 O 0.27130 0.87040 0.09380 1.000 1.000 O 0.27350 0.51260 0.09310 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.743564204 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.52 14.64 7.6828 1 0 0 16.26 2.56 5.4502 -1 0 1 17.92 3.25 4.9509 0 1 1 18.86 2.13 4.7044 1 1 0 18.99 5.08 4.6743 -1 1 1 20.02 2.79 4.4347 1 -1 1 21.95 13.48 4.0489 -1 -1 1 23.15 31.79 3.8414 2 0 0 23.61 7.23 3.7678 -2 1 0 25.30 40.26 3.5206 0 0 2 25.36 4.25 3.5127 -2 0 1 25.92 11.50 3.4376 -2 1 1 26.85 56.16 3.3199 -1 0 2 27.47 3.27 3.2473 2 0 1 27.82 2.18 3.2070 0 -2 1 27.83 1.96 3.2057 -1 2 1 28.02 8.49 3.1849 0 -1 2 28.75 15.07 3.1048 -1 1 2 28.86 40.93 3.0932 1 0 2 28.87 8.12 3.0930 2 1 0 29.98 100.00 2.9807 -2 2 0 30.02 99.51 2.9766 1 2 0 30.57 2.55 2.9248 -2 -1 1 30.60 9.62 2.9216 -1 -1 2 31.98 3.52 2.7990 -2 2 1 31.99 3.98 2.7976 -1 -2 1 32.59 1.30 2.7472 2 1 1 32.86 1.06 2.7260 1 1 2 32.87 9.55 2.7251 -2 0 2 33.43 2.08 2.6808 -2 1 2 34.34 2.46 2.6115 -3 1 0 35.04 10.79 2.5609 3 0 0 35.45 3.10 2.5324 0 -2 2 35.48 2.88 2.5303 -1 2 2 36.18 11.65 2.4827 2 0 2 36.24 12.19 2.4790 1 -2 2 36.29 12.53 2.4755 0 2 2 37.77 2.20 2.3821 3 -1 1 38.21 8.75 2.3556 -3 2 0 38.26 8.65 2.3522 2 2 0 38.35 6.64 2.3471 0 0 3 38.51 4.58 2.3377 3 0 1 38.51 3.67 2.3375 -1 -2 2 38.52 3.57 2.3371 -2 2 2 39.07 23.82 2.3055 -1 0 3 39.47 1.21 2.2830 -3 2 1 39.51 1.13 2.2810 -2 -2 1 40.18 1.16 2.2443 0 -1 3 40.69 3.48 2.2173 2 -2 2 40.76 3.24 2.2137 1 2 2 41.26 16.97 2.1878 3 -2 1 41.34 17.07 2.1842 2 2 1 41.63 5.45 2.1694 -3 0 2 43.26 1.78 2.0915 -2 0 3 43.32 1.48 2.0888 3 1 1 43.79 1.11 2.0672 -2 1 3 44.75 5.57 2.0251 -3 2 2 44.77 5.29 2.0245 -2 -2 2 45.71 7.05 1.9848 3 0 2 46.63 1.03 1.9477 0 3 2 46.78 1.18 1.9418 1 -2 3 46.84 2.05 1.9396 -3 3 1 46.84 1.14 1.9394 0 2 3 47.22 1.99 1.9247 2 -1 3 47.33 4.68 1.9207 4 0 0 47.96 1.57 1.8968 3 -2 2 48.04 1.46 1.8938 2 2 2 48.31 4.65 1.8839 -4 2 0 48.38 4.74 1.8815 3 2 0 48.44 1.36 1.8793 2 -3 2 48.91 2.67 1.8623 -1 -3 2 49.05 4.05 1.8571 -4 2 1 49.10 3.80 1.8553 -3 -2 1 49.81 36.58 1.8307 -1 4 0 50.40 2.73 1.8106 4 0 1 50.57 2.80 1.8050 -2 -3 1 50.78 4.38 1.7980 2 -2 3 50.79 1.21 1.7976 2 1 3 50.85 4.47 1.7955 1 2 3 51.18 1.19 1.7848 4 -2 1 51.26 1.33 1.7823 3 2 1 51.60 3.67 1.7714 -3 3 2 51.95 15.37 1.7603 0 0 4 52.22 4.18 1.7518 -1 0 4 53.10 11.17 1.7248 -2 -2 3 53.10 11.04 1.7247 -3 2 3 53.30 7.22 1.7188 -4 2 2 53.33 7.31 1.7179 -3 -2 2 53.94 2.00 1.6999 0 1 4 53.96 1.53 1.6994 -4 3 0 54.48 1.09 1.6842 1 -3 3 54.72 1.50 1.6775 -4 3 1 54.92 1.61 1.6717 -2 -3 2 55.19 2.12 1.6643 1 -1 4 55.35 1.04 1.6600 -2 0 4 56.64 2.61 1.6250 1 -4 2 56.70 2.50 1.6235 -1 4 2 57.18 1.49 1.6110 1 1 4 57.27 6.57 1.6087 4 -2 2 57.36 6.33 1.6065 3 2 2 57.47 5.75 1.6035 0 -4 2 57.50 5.94 1.6028 -2 4 2 58.55 1.89 1.5766 2 -4 2 58.64 1.78 1.5744 0 4 2 58.89 1.38 1.5681 3 3 0 59.00 1.19 1.5655 1 -2 4 59.07 1.19 1.5639 0 2 4 59.52 1.89 1.5532 -1 -2 4 59.55 1.94 1.5524 -2 2 4 60.10 1.75 1.5395 -5 2 1 60.16 1.72 1.5381 -4 -2 1 60.23 4.21 1.5366 5 0 0 60.53 2.17 1.5297 -4 2 3 60.54 2.15 1.5294 -3 -2 3 60.96 1.73 1.5197 -3 4 2 60.97 1.74 1.5196 -1 -4 2 61.03 1.90 1.5182 -3 0 4 62.30 1.72 1.4903 -4 4 0 62.39 1.65 1.4883 2 4 0 62.71 6.65 1.4815 2 -2 4 62.79 6.58 1.4798 1 2 4 63.04 1.86 1.4747 3 -4 2 63.12 2.88 1.4729 5 0 1 63.15 1.85 1.4722 1 4 2 63.59 2.32 1.4633 -5 2 2 63.63 2.21 1.4624 -4 -2 2 63.71 1.05 1.4608 -2 -2 4 63.72 1.08 1.4605 -3 2 4 63.79 7.39 1.4590 -5 0 2 65.03 2.21 1.4342 0 -4 3 65.08 2.15 1.4332 -2 4 3 65.22 1.11 1.4305 -1 3 4 65.27 1.14 1.4296 0 -3 4 66.85 1.31 1.3995 -4 4 2 66.89 1.33 1.3988 -2 -4 2 67.29 3.17 1.3913 3 0 4 68.19 1.35 1.3753 5 -2 2 68.28 1.30 1.3736 4 2 2 68.43 1.07 1.3710 -3 5 1 68.80 2.47 1.3646 3 -2 4 68.89 2.51 1.3630 2 2 4 68.92 7.89 1.3625 5 0 2 69.44 1.21 1.3536 1 -5 2 69.85 2.25 1.3466 -2 5 2 69.93 1.46 1.3453 1 5 0 69.99 1.71 1.3443 -5 0 3 70.22 1.15 1.3404 -3 -2 4 70.22 1.16 1.3404 -4 2 4 70.80 1.13 1.3309 0 -5 2 73.50 1.16 1.2884 5 -4 1 73.65 1.17 1.2863 3 4 1 74.00 2.23 1.2810 -6 0 1 74.77 4.01 1.2696 1 -4 4 74.88 3.93 1.2681 -1 4 4 76.78 2.37 1.2413 4 0 4 78.76 1.23 1.2151 -5 0 4 78.82 2.42 1.2143 -5 2 4 78.84 2.36 1.2141 -4 -2 4 80.95 1.71 1.1876 -3 6 0 81.01 1.61 1.1869 0 6 0 81.77 1.49 1.1778 -6 4 0 81.87 2.01 1.1766 -1 0 6 81.91 1.51 1.1761 4 4 0 82.13 1.57 1.1735 0 0 6 84.32 1.33 1.1485 6 -4 1 84.48 1.08 1.1468 -1 6 2 84.49 1.44 1.1467 4 4 1 84.96 2.36 1.1415 -6 4 2 85.06 2.43 1.1405 -4 -4 2 87.52 1.92 1.1146 4 -6 1 87.67 1.95 1.1131 1 6 1 87.69 1.15 1.1129 -1 -2 6 87.75 1.16 1.1123 -2 2 6 88.11 1.26 1.1087 4 -4 4 88.19 2.16 1.1079 1 -2 6 88.27 2.18 1.1071 0 2 6 88.30 1.23 1.1068 2 4 4 88.94 1.51 1.1005 -7 2 2 89.01 1.49 1.0998 -6 -2 2 89.38 1.01 1.0962 7 -2 1 89.48 1.04 1.0952 6 2 1 89.59 1.51 1.0942 2 0 6 89.62 1.93 1.0939 6 -4 2 89.81 1.84 1.0921 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.