Wollastonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040008 Ohashi Y Physics and Chemistry of Minerals 10 (1984) 217-229 Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M CELL PARAMETERS: 15.4141 7.3170 7.0649 90.000 95.389 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.40056 0.62480 0.73890 1.000 1.300 Ca 0.39880 0.11910 0.73620 1.000 1.300 Ca 0.24837 0.37440 0.97360 1.000 1.300 Si 0.40750 0.65840 0.23110 1.000 0.500 Si 0.40770 0.09270 0.23110 1.000 0.500 Si 0.30140 0.37610 0.44380 1.000 0.500 O 0.34850 0.61210 0.03660 1.000 1.000 O 0.34930 0.13290 0.03690 1.000 1.000 O 0.21470 0.37120 0.30110 1.000 1.000 O 0.50830 0.61570 0.23350 1.000 1.000 O 0.50900 0.12180 0.23670 1.000 1.000 O 0.29910 0.37030 0.67080 1.000 1.000 O 0.39140 0.87610 0.27530 1.000 1.000 O 0.36390 0.19700 0.40530 1.000 1.000 O 0.36370 0.55500 0.40560 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 15.50177874 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.53 7.27 7.6730 2 0 0 16.28 1.33 5.4459 -2 0 1 18.80 1.63 4.7205 1 1 1 20.33 5.11 4.3687 -2 1 1 21.19 2.32 4.1924 3 1 0 23.18 15.95 3.8365 4 0 0 23.86 7.15 3.7297 -3 1 1 25.33 20.33 3.5168 0 0 2 25.38 2.06 3.5095 -4 0 1 26.23 4.43 3.3978 4 1 0 26.88 28.11 3.3172 -2 0 2 27.51 1.69 3.2425 4 0 1 27.85 2.11 3.2037 -1 2 1 28.15 1.85 3.1697 0 1 2 28.20 3.31 3.1643 -4 1 1 28.26 6.59 3.1576 -1 1 2 28.90 20.47 3.0890 2 0 2 29.57 6.50 3.0212 -2 1 2 30.03 100.00 2.9758 3 2 0 31.61 2.66 2.8303 5 1 0 31.93 2.58 2.8027 -3 1 2 32.01 3.79 2.7959 -3 2 1 32.89 4.80 2.7229 -4 0 2 35.09 5.41 2.5577 6 0 0 35.49 3.01 2.5292 -1 2 2 36.24 5.90 2.4791 4 0 2 36.30 12.55 2.4747 1 2 2 38.28 8.76 2.3513 5 2 0 38.39 3.43 2.3446 0 0 3 38.55 3.68 2.3354 -3 2 2 38.57 2.26 2.3343 6 0 1 39.11 11.98 2.3035 -2 0 3 39.53 1.15 2.2799 -5 2 1 40.78 3.34 2.2128 3 2 2 41.35 17.00 2.1833 5 2 1 41.67 2.71 2.1676 -6 0 2 44.80 5.43 2.0231 -5 2 2 45.78 3.50 1.9818 6 0 2 46.87 1.15 1.9386 1 2 3 47.39 2.34 1.9182 8 0 0 48.07 1.46 1.8928 5 2 2 48.40 4.71 1.8805 7 2 0 48.68 1.33 1.8706 -5 3 1 49.13 3.89 1.8544 -7 2 1 49.85 18.30 1.8292 0 4 0 50.22 1.86 1.8168 -4 3 2 50.48 1.37 1.8081 8 0 1 50.88 4.43 1.7946 3 2 3 51.29 1.27 1.7812 7 2 1 52.01 7.65 1.7584 0 0 4 52.27 2.07 1.7501 -2 0 4 52.64 1.20 1.7388 -6 3 1 53.14 11.21 1.7234 -5 2 3 53.23 1.40 1.7208 -5 3 2 53.36 7.24 1.7168 -7 2 2 54.55 1.11 1.6824 1 1 4 56.72 2.54 1.6228 0 4 2 57.40 6.48 1.6054 7 2 2 57.54 5.87 1.6018 -2 4 2 58.65 1.82 1.5740 2 4 2 59.11 1.17 1.5630 1 2 4 59.59 1.92 1.5514 -3 2 4 60.20 1.75 1.5372 -9 2 1 60.31 2.11 1.5346 10 0 0 60.59 2.18 1.5283 -7 2 3 61.02 1.75 1.5184 -4 4 2 62.41 1.71 1.4879 6 4 0 62.84 6.64 1.4789 3 2 4 63.17 1.88 1.4719 4 4 2 63.22 1.47 1.4708 10 0 1 63.67 2.23 1.4615 -9 2 2 63.77 1.09 1.4595 -5 2 4 63.86 3.70 1.4576 -10 0 2 65.12 2.16 1.4325 -2 4 3 66.93 1.35 1.3980 -6 4 2 67.40 1.61 1.3894 6 0 4 68.34 1.29 1.3725 9 2 2 68.95 2.53 1.3620 5 2 4 69.04 3.94 1.3605 10 0 2 69.64 1.01 1.3502 -1 5 2 70.28 1.13 1.3393 -7 2 4 73.67 1.14 1.2859 8 4 1 74.10 1.12 1.2795 -12 0 1 74.91 3.99 1.2677 0 4 4 76.92 1.19 1.2395 8 0 4 78.91 2.40 1.2132 -9 2 4 81.06 1.68 1.1863 3 6 0 81.95 1.51 1.1757 10 4 0 81.97 1.03 1.1754 -2 0 6 84.52 1.04 1.1463 1 6 2 84.53 1.42 1.1463 10 4 1 85.11 2.41 1.1400 -10 4 2 87.70 1.89 1.1128 5 6 1 87.82 1.16 1.1116 -3 2 6 88.34 1.26 1.1064 6 4 4 88.35 2.20 1.1063 1 2 6 89.09 1.50 1.0990 -13 2 2 89.58 1.04 1.0942 13 2 1 89.85 1.89 1.0916 10 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.