Clinoclase Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050659 Eby R K, Hawthorne F C Acta Crystallographica C46 (1990) 2291-2294 Clinoclase and the geometry of [5]-coordinate Cu2+ in minerals CELL PARAMETERS: 7.2300 6.4270 12.3400 90.000 99.520 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Cu 0.78770 0.14000 0.32940 1.000 1.398 Cu 0.81530 0.38130 0.12740 1.000 1.334 Cu 0.38690 0.35310 0.41260 1.000 1.445 As 0.30870 0.14990 0.17960 1.000 1.121 O 0.41490 0.07100 0.07380 1.000 1.398 O 0.83770 -0.15770 0.36520 1.000 1.445 O 0.17980 -0.05310 0.21300 1.000 1.287 O 0.47110 0.22050 0.28540 1.000 1.532 OH 0.77990 0.20340 0.47800 1.000 1.958 OH 0.80880 0.09430 0.17730 1.000 1.374 OH 0.18080 0.16700 0.41060 1.000 1.658 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 19.10187316 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.41 17.83 7.1304 1 0 0 14.56 45.90 6.0850 0 0 2 19.20 20.60 4.6216 -1 1 1 20.70 3.69 4.2915 1 0 2 20.73 75.68 4.2858 1 1 1 22.36 4.85 3.9759 -1 1 2 24.95 8.68 3.5690 1 1 2 24.98 100.00 3.5652 2 0 0 25.97 1.60 3.4305 0 1 3 26.81 6.43 3.3253 -2 0 2 27.23 4.03 3.2755 -1 1 3 27.76 8.79 3.2135 0 2 0 28.51 6.44 3.1310 -2 1 1 28.63 98.06 3.1177 2 1 0 28.73 11.66 3.1070 0 2 1 29.36 42.34 3.0425 0 0 4 29.96 48.65 2.9821 -1 0 4 30.26 11.85 2.9534 -2 1 2 30.46 4.24 2.9351 1 1 3 30.51 2.27 2.9297 1 2 0 30.61 7.44 2.9203 2 1 1 30.90 64.43 2.8934 -1 2 1 31.10 8.80 2.8757 2 0 2 31.90 35.17 2.8053 1 2 1 32.56 12.44 2.7499 0 1 4 33.02 5.18 2.7127 -1 2 2 33.12 3.93 2.7051 -1 1 4 33.63 4.60 2.6652 -2 1 3 33.89 25.29 2.6450 1 0 4 35.48 19.03 2.5302 -2 0 4 35.64 26.33 2.5189 0 2 3 36.59 58.40 2.4556 -1 2 3 36.74 2.78 2.4459 1 1 4 37.85 6.53 2.3768 3 0 0 38.23 1.15 2.3543 -2 1 4 38.31 3.28 2.3495 -3 0 2 38.90 7.69 2.3155 2 1 3 39.13 17.64 2.3020 1 2 3 39.26 24.81 2.2948 2 2 1 39.66 1.91 2.2727 -1 1 5 39.97 8.97 2.2557 -3 1 1 40.46 14.99 2.2293 3 1 0 41.30 3.15 2.1859 -1 2 4 42.17 2.08 2.1429 2 2 2 42.34 12.39 2.1349 3 1 1 43.09 6.36 2.0994 3 0 2 43.17 16.90 2.0957 -3 1 3 43.57 3.91 2.0773 1 1 5 44.14 2.83 2.0517 1 3 0 44.31 5.01 2.0442 -3 0 4 44.36 1.42 2.0422 1 2 4 44.37 18.00 2.0418 -1 0 6 44.43 5.82 2.0391 -1 3 1 44.52 8.36 2.0353 2 1 4 44.68 2.47 2.0283 0 0 6 44.85 2.65 2.0208 0 3 2 45.16 6.94 2.0076 1 3 1 45.64 1.62 1.9879 -2 2 4 46.21 1.57 1.9644 2 2 3 46.62 2.92 1.9481 -3 1 4 46.82 2.35 1.9403 0 2 5 46.98 2.02 1.9343 0 1 6 47.15 1.72 1.9275 -3 2 1 47.43 2.82 1.9168 1 3 2 47.78 6.28 1.9035 -2 0 6 47.97 2.88 1.8966 -3 2 2 48.66 1.42 1.8712 1 0 6 49.24 1.66 1.8505 3 2 1 49.62 2.71 1.8371 3 1 3 49.65 9.74 1.8363 2 3 0 49.98 6.56 1.8248 -3 2 3 50.34 1.90 1.8126 1 2 5 50.69 1.15 1.8009 -2 3 2 50.82 4.28 1.7968 1 3 3 50.82 4.89 1.7966 2 1 5 50.82 5.95 1.7966 1 1 6 50.92 3.82 1.7934 2 3 1 52.95 4.99 1.7292 -2 3 3 53.04 3.53 1.7267 -4 1 2 53.33 8.24 1.7178 4 1 0 54.39 1.55 1.6868 -3 0 6 54.69 9.64 1.6784 3 1 4 54.69 6.58 1.6783 0 1 7 55.17 2.68 1.6648 1 3 4 55.18 3.30 1.6646 4 1 1 55.72 6.47 1.6496 2 0 6 55.84 2.74 1.6464 3 2 3 56.11 5.65 1.6391 4 0 2 56.27 2.75 1.6350 -2 3 4 56.40 7.55 1.6315 -3 1 6 56.76 6.67 1.6218 2 3 3 56.78 1.82 1.6215 -2 1 7 56.95 1.53 1.6171 2 2 5 57.23 5.37 1.6097 -4 1 4 57.34 14.61 1.6068 0 4 0 57.58 4.60 1.6008 -3 3 1 57.89 1.53 1.5929 0 4 1 57.95 1.54 1.5913 3 3 0 58.07 1.62 1.5883 4 1 2 58.60 6.63 1.5752 -4 2 1 59.40 9.01 1.5559 3 3 1 60.00 1.34 1.5418 -1 2 7 60.05 6.63 1.5407 -1 0 8 60.06 16.55 1.5405 -3 3 3 60.37 1.66 1.5332 1 3 5 60.46 1.18 1.5311 -4 2 3 60.55 19.22 1.5291 0 2 7 60.90 1.29 1.5213 0 0 8 62.14 1.07 1.4938 0 4 3 62.44 2.48 1.4874 -3 1 7 62.51 20.19 1.4858 -2 2 7 62.77 1.28 1.4804 0 1 8 62.77 3.60 1.4803 -1 4 3 63.51 7.17 1.4649 2 4 0 64.40 1.16 1.4467 -2 4 2 64.60 2.39 1.4428 2 4 1 64.61 1.57 1.4425 -5 0 2 65.10 5.87 1.4328 2 1 7 65.32 1.88 1.4286 3 3 3 65.35 6.61 1.4279 -4 1 6 65.45 3.17 1.4261 5 0 0 65.72 6.98 1.4208 0 4 4 66.05 5.20 1.4145 -1 4 4 66.05 7.97 1.4145 3 2 5 66.32 3.01 1.4093 2 3 5 66.33 1.78 1.4093 1 3 6 66.37 3.46 1.4085 -4 2 5 66.42 1.57 1.4075 -5 1 2 66.55 3.89 1.4051 1 1 8 66.68 2.20 1.4027 2 4 2 67.02 1.47 1.3963 3 1 6 67.37 1.42 1.3899 -3 0 8 67.41 1.19 1.3893 -1 2 8 67.51 2.86 1.3874 -5 1 3 67.89 1.86 1.3806 -3 2 7 68.22 1.16 1.3748 -4 3 2 68.30 4.02 1.3732 1 4 4 68.47 2.64 1.3703 4 3 0 69.27 4.54 1.3564 -2 4 4 69.65 1.67 1.3500 3 3 4 69.65 1.84 1.3500 0 3 7 70.07 5.09 1.3428 4 3 1 70.68 4.55 1.3327 -4 1 7 71.08 1.10 1.3263 -3 4 2 71.14 1.09 1.3253 -3 3 6 71.48 1.88 1.3199 -2 3 7 71.88 1.11 1.3135 -4 3 4 71.98 1.59 1.3119 5 1 2 72.97 1.81 1.2965 1 4 5 73.05 1.04 1.2953 2 1 8 74.35 1.63 1.2758 5 2 1 75.22 1.56 1.2632 -3 4 4 75.26 2.64 1.2627 -1 4 6 75.73 1.13 1.2560 5 1 3 76.42 1.05 1.2464 0 2 9 76.80 1.78 1.2411 4 0 6 77.33 2.32 1.2340 -1 0 10 77.79 1.45 1.2278 -2 4 6 78.49 2.13 1.2186 4 1 6 78.67 1.58 1.2163 5 0 4 79.00 4.42 1.2120 2 3 7 79.22 2.38 1.2092 2 5 0 79.59 1.68 1.2044 -6 0 2 80.17 1.95 1.1972 1 2 9 81.24 2.81 1.1841 -5 3 3 81.25 1.44 1.1841 0 5 4 81.25 1.57 1.1840 -5 1 7 81.45 1.33 1.1817 -6 1 1 82.55 1.30 1.1686 6 1 0 82.94 1.40 1.1642 -3 0 10 83.64 1.02 1.1561 1 5 4 84.10 1.46 1.1510 2 4 6 84.23 3.62 1.1496 -4 3 7 84.42 2.01 1.1474 4 4 2 84.59 1.41 1.1455 -3 1 10 86.28 1.39 1.1274 -6 1 5 86.53 1.07 1.1248 3 4 5 86.57 1.57 1.1244 2 2 9 87.53 3.05 1.1145 6 1 2 87.77 2.04 1.1120 -1 4 8 89.06 1.69 1.0993 5 3 3 89.78 1.43 1.0923 -6 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.