Wollastonite-2M Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120122 Trojer F J Zeitschrift fur Kristallographie 127 (1968) 291-308 The crystal structure of parawollastonite Locality: Crestmore, California, USA _database_code_amcsd 0010667 CELL PARAMETERS: 15.4400 7.3288 7.0757 90.000 95.409 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.24820 0.37580 0.97120 1.000 0.592 Ca 0.40110 0.62650 0.73970 1.000 0.686 Ca 0.39870 0.12090 0.73640 1.000 0.701 Si 0.40760 0.09070 0.23130 1.000 0.452 Si 0.40750 0.65980 0.23130 1.000 0.506 Si 0.30160 0.37610 0.44320 1.000 0.497 O 0.30000 0.37470 0.66850 1.000 0.497 O 0.21560 0.37590 0.30310 1.000 0.700 O 0.34900 0.13970 0.03280 1.000 0.637 O 0.34730 0.61570 0.03480 1.000 0.849 O 0.50860 0.12260 0.23880 1.000 1.003 O 0.50780 0.61760 0.23470 1.000 0.882 O 0.36420 0.19620 0.40600 1.000 0.645 O 0.36330 0.55330 0.40670 1.000 0.629 O 0.39060 0.87550 0.27670 1.000 0.614 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: 15.69521654 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.51 7.34 7.6856 2 0 0 16.25 1.29 5.4554 -2 0 1 17.46 1.02 5.0786 0 1 1 18.77 1.67 4.7275 1 1 1 20.29 4.89 4.3761 -2 1 1 21.16 2.32 4.1993 3 1 0 23.15 15.72 3.8428 4 0 0 23.82 7.21 3.7362 -3 1 1 25.29 19.85 3.5221 0 0 2 25.33 2.21 3.5157 -4 0 1 26.18 4.50 3.4033 4 1 0 26.83 27.70 3.3227 -2 0 2 27.47 1.63 3.2472 4 0 1 27.80 1.84 3.2089 -1 2 1 28.11 2.00 3.1745 0 1 2 28.15 3.36 3.1698 -4 1 1 28.22 6.80 3.1626 -1 1 2 28.86 21.15 3.0934 2 0 2 29.52 6.87 3.0262 -2 1 2 29.98 100.00 2.9806 3 2 0 31.56 2.77 2.8349 5 1 0 31.88 2.84 2.8075 -3 1 2 31.96 4.00 2.8006 -3 2 1 32.83 4.87 2.7277 -4 0 2 35.03 5.48 2.5619 6 0 0 35.13 1.03 2.5542 5 1 1 35.44 3.27 2.5332 -1 2 2 36.18 5.92 2.4825 4 0 2 36.25 12.13 2.4784 1 2 2 38.21 8.69 2.3552 5 2 0 38.33 3.70 2.3481 0 0 3 38.48 3.68 2.3394 -3 2 2 38.51 2.22 2.3378 6 0 1 39.04 12.08 2.3072 -2 0 3 39.46 1.26 2.2838 -5 2 1 40.71 3.53 2.2161 3 2 2 41.29 18.05 2.1867 5 2 1 41.59 2.65 2.1714 -6 0 2 44.72 5.89 2.0266 -5 2 2 45.71 3.83 1.9847 6 0 2 46.79 1.34 1.9415 1 2 3 47.31 2.44 1.9214 8 0 0 47.99 1.56 1.8956 5 2 2 48.32 4.57 1.8836 7 2 0 48.59 1.34 1.8738 -5 3 1 49.04 4.28 1.8575 -7 2 1 49.77 18.75 1.8322 0 4 0 50.13 1.94 1.8198 -4 3 2 50.39 1.52 1.8109 8 0 1 50.80 4.65 1.7972 3 2 3 51.21 1.35 1.7840 7 2 1 51.92 7.91 1.7610 0 0 4 52.18 2.22 1.7529 -2 0 4 52.54 1.29 1.7417 -6 3 1 53.05 11.93 1.7263 -5 2 3 53.13 1.52 1.7237 -5 3 2 53.26 7.66 1.7198 -7 2 2 53.29 1.05 1.7189 2 4 1 54.46 1.20 1.6849 1 1 4 56.09 1.07 1.6397 2 1 4 56.63 2.59 1.6254 0 4 2 57.30 6.93 1.6078 7 2 2 57.43 6.06 1.6044 -2 4 2 58.55 1.96 1.5764 2 4 2 59.01 1.36 1.5653 1 2 4 59.48 2.19 1.5540 -3 2 4 60.09 2.02 1.5398 -9 2 1 60.20 2.14 1.5371 10 0 0 60.47 2.09 1.5309 -7 2 3 60.91 1.98 1.5209 -4 4 2 60.97 1.02 1.5197 -6 0 4 62.30 1.87 1.4903 6 4 0 62.74 6.76 1.4810 3 2 4 63.06 2.02 1.4742 4 4 2 63.11 1.48 1.4731 10 0 1 63.55 2.24 1.4640 -9 2 2 63.65 1.10 1.4619 -5 2 4 63.74 4.03 1.4602 -10 0 2 65.00 2.46 1.4348 -2 4 3 66.81 1.31 1.4003 -6 4 2 67.30 1.67 1.3913 6 0 4 68.23 1.34 1.3746 9 2 2 68.84 2.71 1.3639 5 2 4 68.92 4.31 1.3625 10 0 2 69.51 1.07 1.3523 -1 5 2 70.14 1.18 1.3416 -7 2 4 73.53 1.45 1.2879 8 4 1 73.95 1.30 1.2817 -12 0 1 74.77 4.29 1.2697 0 4 4 76.79 1.25 1.2413 8 0 4 78.74 2.68 1.2153 -9 2 4 80.91 1.87 1.1882 3 6 0 81.79 1.57 1.1776 10 4 0 81.82 1.10 1.1773 -2 0 6 84.36 1.14 1.1482 1 6 2 84.36 1.51 1.1481 10 4 1 84.93 2.79 1.1419 -10 4 2 87.52 2.44 1.1146 5 6 1 87.64 1.33 1.1134 -3 2 6 88.17 1.40 1.1080 6 4 4 88.18 2.34 1.1079 1 2 6 88.90 1.80 1.1009 -13 2 2 89.40 1.14 1.0960 13 2 1 89.68 2.19 1.0933 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.