Wollastonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040131 Ohashi Y, Finger L W American Mineralogist 63 (1978) 274-288 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Fe-WO, from Scawt Hill, Antrim County, Ireland CELL PARAMETERS: 10.1370 11.0920 7.3249 99.510 100.610 83.364 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.02120 0.78000 0.07720 0.970 0.710 Fe 0.02120 0.78000 0.07720 0.030 0.710 Ca 0.01800 0.78030 0.57120 0.970 0.730 Fe 0.01800 0.78030 0.57120 0.030 0.730 Ca 0.01370 0.48890 0.25040 0.930 0.670 Fe 0.01370 0.48890 0.25040 0.070 0.670 Si 0.22650 0.95850 0.88760 1.000 0.530 Si 0.22660 0.95760 0.45400 1.000 0.540 Si 0.22600 0.17110 0.22370 1.000 0.520 Oa 0.11640 0.57860 0.03810 1.000 1.000 Oa 0.11680 0.58070 0.56120 1.000 0.980 Oa 0.11490 0.31420 0.73050 1.000 0.810 Ob 0.12480 0.85770 0.87500 1.000 1.050 Ob 0.12390 0.85670 0.36570 1.000 1.130 Ob 0.11470 0.28740 0.22710 1.000 0.670 Oc 0.22010 0.99550 0.67800 1.000 1.290 Oc 0.18110 0.08870 0.37030 1.000 0.850 Oc 0.18230 0.09120 0.01190 1.000 0.840 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.043309369 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.52 14.67 7.6814 1 1 0 12.58 1.24 7.0366 -1 1 0 16.27 2.19 5.4486 0 2 0 17.94 3.10 4.9456 1 -1 1 18.87 2.18 4.7018 1 1 1 18.99 4.82 4.6724 0 -2 1 20.01 2.63 4.4371 -2 0 1 21.95 12.95 4.0487 0 2 1 23.16 30.06 3.8407 2 2 0 23.60 7.20 3.7694 -2 -2 1 25.31 38.40 3.5183 -2 2 0 25.36 4.78 3.5122 1 3 0 25.92 10.94 3.4376 -1 -3 1 26.87 55.01 3.3184 -1 3 0 27.48 3.55 3.2460 3 1 0 27.81 1.63 3.2084 -1 1 2 27.84 1.41 3.2048 0 -2 2 28.01 7.76 3.1851 -2 2 1 28.78 14.34 3.1024 1 -3 1 28.88 7.82 3.0913 2 2 1 28.88 42.20 3.0911 -3 1 0 29.96 100.00 2.9826 -2 -2 2 30.03 99.26 2.9753 1 1 2 30.57 2.33 2.9241 1 3 1 30.60 9.22 2.9215 -1 3 1 31.97 3.68 2.7993 -1 -3 2 31.99 4.14 2.7976 0 2 2 32.62 1.23 2.7448 3 1 1 32.88 10.67 2.7243 0 4 0 32.89 1.06 2.7229 3 -1 1 33.44 1.91 2.6797 0 -4 1 34.33 2.53 2.6122 -3 -3 1 35.05 11.70 2.5605 3 3 0 35.43 3.51 2.5335 -2 2 2 35.51 3.27 2.5284 1 -3 2 36.20 11.71 2.4813 4 0 0 36.22 12.60 2.4804 -3 1 2 36.33 12.76 2.4728 2 -2 2 37.76 2.10 2.3825 -4 -2 1 38.18 9.12 2.3569 -3 -3 2 38.29 8.87 2.3509 2 2 2 38.38 6.18 2.3455 -3 3 0 38.51 3.52 2.3379 -1 3 2 38.52 4.44 2.3369 4 2 0 38.54 3.36 2.3362 0 -4 2 39.09 25.69 2.3043 -2 4 0 39.46 1.30 2.2836 -2 -4 2 39.52 1.18 2.2805 1 3 2 40.19 1.17 2.2440 -3 3 1 40.67 3.62 2.2186 -4 0 2 40.81 3.34 2.2111 3 -1 2 41.24 17.97 2.1892 -4 -2 2 41.38 18.02 2.1822 3 1 2 41.64 5.35 2.1690 1 5 0 43.28 1.92 2.0906 -1 5 0 43.35 1.39 2.0874 4 2 1 44.76 5.39 2.0248 -1 -5 2 44.77 5.16 2.0244 0 4 2 45.73 7.18 1.9839 5 1 0 46.77 1.61 1.9424 -4 2 2 46.82 1.94 1.9403 -2 -4 3 46.90 1.57 1.9373 3 -3 2 47.23 1.90 1.9245 -5 1 1 47.34 4.64 1.9203 4 4 0 47.94 1.80 1.8976 -5 -1 2 48.10 1.66 1.8917 4 0 2 48.29 4.60 1.8847 -4 -4 2 48.40 1.38 1.8808 -4 0 3 48.41 4.70 1.8804 3 3 2 48.89 2.48 1.8628 -1 3 3 49.04 4.34 1.8576 -3 -5 2 49.12 3.99 1.8547 2 4 2 49.79 37.30 1.8312 -1 -1 4 50.42 3.10 1.8101 5 3 0 50.58 2.75 1.8047 1 3 3 50.76 4.48 1.7986 -5 1 2 50.84 1.16 1.7958 5 -1 1 50.92 4.52 1.7934 4 -2 2 51.15 1.29 1.7856 -5 -3 2 51.30 1.43 1.7808 4 2 2 51.60 3.65 1.7713 -1 -5 3 51.98 16.41 1.7592 -4 4 0 52.25 3.61 1.7508 -3 5 0 53.10 11.74 1.7248 -1 5 2 53.12 11.69 1.7240 0 -6 2 53.26 1.05 1.7200 -3 -1 4 53.30 7.94 1.7188 -2 -6 2 53.34 8.18 1.7176 1 5 2 53.39 1.06 1.7160 1 -1 4 53.92 1.49 1.7004 -4 -4 3 53.99 1.97 1.6983 4 -4 1 54.45 1.04 1.6851 -4 2 3 54.70 1.42 1.6781 -3 -5 3 54.92 1.54 1.6717 0 4 3 55.20 1.98 1.6639 -5 3 1 55.37 1.11 1.6592 -2 6 0 56.60 2.60 1.6261 -3 1 4 56.73 2.49 1.6226 1 -3 4 57.24 1.38 1.6094 5 -3 1 57.25 7.15 1.6093 -6 -2 2 57.42 6.87 1.6049 5 1 2 57.44 5.90 1.6042 -2 2 4 57.52 6.01 1.6024 0 -4 4 58.50 2.10 1.5778 -4 0 4 58.69 1.97 1.5732 2 -2 4 58.93 1.30 1.5673 3 3 3 59.00 1.08 1.5657 -5 3 2 59.14 1.08 1.5622 4 -4 2 59.52 2.23 1.5532 -3 5 2 59.60 2.27 1.5512 2 -6 2 60.09 2.15 1.5398 -4 -6 2 60.19 2.07 1.5375 3 5 2 60.24 4.18 1.5363 5 5 0 60.54 2.33 1.5293 -1 -7 2 60.55 2.29 1.5292 0 6 2 60.96 2.13 1.5199 -1 3 4 60.97 2.06 1.5197 -1 -5 4 61.06 2.26 1.5177 -1 7 0 62.25 2.00 1.4913 -4 -4 4 62.43 1.96 1.4876 2 2 4 62.70 7.51 1.4817 -6 2 2 62.87 7.38 1.4781 5 -3 2 62.98 2.09 1.4759 -5 -1 4 63.14 3.08 1.4725 6 4 0 63.22 2.08 1.4709 3 -1 4 63.58 2.12 1.4634 -3 -7 2 63.64 2.02 1.4620 2 6 2 63.80 7.81 1.4588 3 7 0 65.00 2.68 1.4349 -3 3 4 65.12 2.63 1.4324 1 -5 4 65.25 1.13 1.4300 -4 4 3 65.29 1.07 1.4291 3 -5 3 66.84 1.29 1.3996 -2 -6 4 66.89 1.33 1.3988 0 4 4 67.34 3.56 1.3905 -7 1 0 68.17 1.31 1.3756 -7 -3 2 68.35 1.26 1.3724 6 2 2 68.41 1.02 1.3714 -2 -4 5 68.79 2.55 1.3647 -7 1 2 68.95 8.47 1.3620 7 3 0 68.98 2.58 1.3614 6 -2 2 69.39 1.13 1.3544 -3 1 5 69.87 2.18 1.3463 0 -4 5 69.94 1.41 1.3450 1 1 5 70.00 1.84 1.3441 2 8 0 70.23 1.26 1.3403 -1 7 2 70.25 1.26 1.3399 0 -8 2 70.76 1.12 1.3314 -2 2 5 73.44 1.44 1.2894 -6 -4 4 73.71 1.44 1.2853 4 2 4 74.01 2.67 1.2808 5 7 0 74.73 4.46 1.2703 -5 3 4 74.96 4.32 1.2670 3 -5 4 76.83 2.40 1.2406 8 0 0 78.78 1.30 1.2148 1 9 0 78.85 2.61 1.2139 -1 -9 2 78.85 2.54 1.2139 0 8 2 80.90 2.01 1.1882 -3 -3 6 81.02 1.89 1.1868 0 0 6 81.71 1.49 1.1785 -6 -6 4 81.93 2.11 1.1759 -5 7 0 81.97 1.53 1.1754 4 4 4 82.20 1.57 1.1728 -6 6 0 84.26 1.44 1.1492 -7 -5 4 84.31 1.15 1.1486 -4 0 6 84.52 1.25 1.1464 1 -3 6 84.57 1.57 1.1458 5 3 4 84.94 2.64 1.1418 -4 -8 4 85.08 2.75 1.1402 2 6 4 87.44 2.26 1.1154 -5 -3 6 87.71 1.14 1.1127 -5 7 2 87.71 2.27 1.1127 2 0 6 87.84 1.15 1.1114 4 -8 2 88.05 1.52 1.1093 -8 0 4 88.20 2.45 1.1077 -7 5 2 88.38 2.45 1.1060 6 -6 2 88.42 1.48 1.1056 6 -2 4 88.93 1.71 1.1006 -5 -9 2 89.04 1.69 1.0995 4 8 2 89.36 1.06 1.0964 -8 -6 2 89.55 2.24 1.0946 -8 -4 4 89.55 1.10 1.0945 7 5 2 89.67 1.77 1.0934 -8 4 0 89.91 2.13 1.0911 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.