Clinohedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120105 Venetopoulos C C, Rentzeperis P J Zeitschrift fur Kristallographie 144 (1976) 377-392 Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O _database_code_amcsd 0010788 CELL PARAMETERS: 5.1295 15.9290 5.4182 90.000 103.466 90.000 SPACE GROUP: Cc ATOM X Y Z OCCUPANCY ISO(B) Ca 0.34800 0.57240 0.63840 1.000 0.220 Zn 0.00000 0.24928 0.00000 1.000 0.220 Si 0.01390 0.36180 0.51830 1.000 0.060 O 0.14100 0.29340 0.34760 1.000 0.390 O 0.12790 0.34060 0.81550 1.000 0.400 O 0.10670 0.54590 0.94790 1.000 0.320 Oh 0.14150 0.95910 0.85640 1.000 0.700 Oh 0.18760 0.14430 0.94890 1.000 0.290 H 0.18600 0.91600 0.72500 1.000 0.660 H 0.32000 0.98600 0.94200 1.000 0.660 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 14 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 17.44405689 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.11 59.85 7.9645 0 2 0 18.64 18.11 4.7605 1 1 0 20.21 18.32 4.3945 0 2 1 22.21 46.00 4.0024 -1 1 1 22.32 6.45 3.9822 0 4 0 24.48 20.71 3.6356 1 3 0 27.34 70.29 3.2624 -1 3 1 27.91 5.91 3.1966 1 1 1 28.09 18.70 3.1770 0 4 1 32.20 100.00 2.7800 1 3 1 33.37 1.95 2.6850 1 5 0 33.76 12.11 2.6548 0 6 0 34.03 23.57 2.6346 0 0 2 35.07 17.39 2.5586 -1 1 2 35.57 53.59 2.5237 -1 5 1 35.90 19.99 2.5013 0 2 2 36.01 13.10 2.4942 2 0 0 37.80 24.43 2.3802 2 2 0 37.86 14.31 2.3763 -2 2 1 37.95 4.72 2.3709 0 6 1 38.65 3.17 2.3295 -1 3 2 41.08 6.73 2.1973 0 4 2 42.76 1.84 2.1146 1 1 2 42.78 7.99 2.1138 2 4 0 42.84 6.12 2.1111 -2 4 1 43.72 10.37 2.0703 1 7 0 45.09 5.28 2.0107 -1 5 2 45.15 5.30 2.0082 2 2 1 45.32 20.62 2.0012 -2 2 2 45.50 11.93 1.9936 -1 7 1 45.56 1.51 1.9911 0 8 0 45.84 2.08 1.9797 1 3 2 48.69 9.22 1.8701 0 6 2 48.79 12.06 1.8665 1 7 1 48.90 4.19 1.8626 0 8 1 49.53 1.96 1.8404 2 4 1 49.69 5.18 1.8350 -2 4 2 50.19 9.12 1.8178 2 6 0 51.29 6.91 1.7814 -1 1 3 53.42 8.47 1.7152 0 2 3 53.59 2.51 1.7101 -1 7 2 53.99 3.85 1.6985 -1 3 3 54.14 5.20 1.6940 -3 1 1 55.57 4.65 1.6538 3 1 0 56.40 17.55 1.6315 2 0 2 56.41 3.00 1.6312 -2 6 2 56.56 1.16 1.6271 -1 9 1 56.75 4.13 1.6222 -3 3 1 57.33 1.74 1.6070 0 4 3 57.68 2.15 1.5983 2 2 2 57.89 8.59 1.5929 0 10 0 58.07 10.54 1.5885 0 8 2 59.14 21.24 1.5623 -1 5 3 59.38 1.76 1.5564 1 7 2 59.39 9.18 1.5561 2 8 0 59.41 6.16 1.5558 1 9 1 60.06 2.77 1.5404 1 1 3 60.74 3.10 1.5248 0 10 1 61.11 1.14 1.5164 -3 3 2 61.41 1.90 1.5097 2 4 2 61.75 21.48 1.5024 -3 5 1 62.51 7.12 1.4858 1 3 3 62.65 2.11 1.4829 3 1 1 63.06 1.92 1.4741 3 5 0 65.03 11.84 1.4342 -2 8 2 65.04 3.69 1.4340 3 3 1 66.39 1.93 1.4082 -1 7 3 67.25 4.62 1.3921 1 5 3 67.37 4.47 1.3900 2 6 2 68.68 5.21 1.3667 -1 11 1 68.84 1.51 1.3638 -3 7 1 68.88 5.98 1.3631 0 10 2 69.70 7.68 1.3492 3 5 1 69.71 1.22 1.3490 -1 1 4 70.09 4.06 1.3425 2 10 0 70.60 5.70 1.3341 -3 3 3 71.24 1.78 1.3236 1 11 1 71.98 1.53 1.3119 -1 3 4 72.76 4.52 1.2997 0 2 4 72.80 1.74 1.2991 -3 7 2 72.99 3.87 1.2961 -2 0 4 74.08 2.78 1.2797 1 7 3 74.11 2.59 1.2793 -2 2 4 75.09 2.22 1.2650 -3 5 3 75.19 1.09 1.2636 2 10 1 75.32 1.74 1.2618 -2 10 2 75.51 1.07 1.2591 -2 8 3 76.43 1.54 1.2462 3 7 1 76.53 4.29 1.2449 -4 0 2 76.68 1.31 1.2427 3 3 2 77.47 3.76 1.2321 4 2 0 77.63 2.19 1.2299 -4 2 2 81.13 1.15 1.1855 0 12 2 81.67 1.01 1.1789 -3 7 3 82.02 2.83 1.1748 -1 13 1 82.28 1.55 1.1718 2 12 0 82.89 2.05 1.1647 -2 6 4 84.45 5.06 1.1471 1 13 1 84.51 1.25 1.1465 -3 3 4 85.12 3.65 1.1398 2 10 2 86.31 1.66 1.1271 -4 6 2 86.37 2.02 1.1265 -1 11 3 87.54 1.20 1.1144 3 7 2 88.38 1.41 1.1060 -4 4 3 88.64 1.66 1.1034 -3 11 1 89.13 4.69 1.0986 0 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.