Azurite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050497 Belokoneva E L, Gubina Y K, Forsyth J B Physics and Chemistry of Minerals 28 (2001) 498-507 The charge density distribution and antiferromagnetic properties of azurite Cu3[CO3]2(OH)2 Note: O1 x-coordinate altered CELL PARAMETERS: 5.009573 5.845501 10.34413 90.00000 92.42043 90.00000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 17.18 61.54 5.1674 0 0 2 17.45 29.12 5.0880 0 1 1 17.74 11.36 5.0051 1 0 0 22.99 2.19 3.8716 0 1 2 23.41 7.55 3.8019 1 1 0 24.24 55.14 3.6735 -1 0 2 25.23 100.00 3.5316 1 1 1 25.30 1.20 3.5216 1 0 2 28.71 9.64 3.1103 -1 1 2 30.12 2.97 2.9679 0 1 3 30.60 14.01 2.9228 0 2 0 31.83 6.85 2.8124 0 2 1 34.58 11.19 2.5946 -1 1 3 35.29 26.31 2.5440 0 2 2 35.58 18.25 2.5239 1 2 0 35.73 37.85 2.5130 1 1 3 36.47 1.26 2.4640 -1 2 1 38.53 19.05 2.3364 -1 0 4 39.16 4.36 2.3006 2 1 0 39.40 30.68 2.2872 -1 2 2 39.81 28.40 2.2643 -2 1 1 39.94 1.52 2.2573 1 0 4 40.09 9.54 2.2491 1 2 2 40.50 32.73 2.2274 2 1 1 41.63 6.38 2.1696 -1 1 4 42.95 3.93 2.1058 1 1 4 44.97 2.44 2.0156 1 2 3 46.60 26.37 1.9487 0 1 5 46.61 2.58 1.9484 -2 1 3 47.84 6.45 1.9009 2 2 0 48.40 1.02 1.8803 -2 2 1 48.42 2.40 1.8798 2 1 3 49.63 6.28 1.8368 -2 0 4 49.97 18.84 1.8250 -1 2 4 50.95 7.63 1.7920 1 1 5 51.12 2.53 1.7865 1 2 4 51.20 6.56 1.7837 1 3 1 51.92 2.95 1.7608 2 0 4 54.06 2.91 1.6960 0 3 3 55.68 1.31 1.6503 -1 0 6 56.95 1.50 1.6165 -1 3 3 57.28 1.65 1.6080 1 0 6 57.29 1.39 1.6076 -3 0 2 57.74 19.58 1.5962 1 3 3 57.78 4.22 1.5952 -3 1 1 58.86 7.11 1.5684 3 0 2 59.42 5.33 1.5552 -2 2 4 60.17 1.09 1.5374 2 3 0 60.65 10.00 1.5265 -2 3 1 61.16 13.77 1.5150 2 3 1 61.44 1.18 1.5087 2 1 5 61.46 3.96 1.5082 2 2 4 62.88 11.12 1.4775 -3 1 3 63.65 4.81 1.4614 0 4 0 64.33 2.15 1.4477 -2 0 6 65.11 1.48 1.4322 3 1 3 65.15 8.86 1.4315 0 1 7 65.85 5.42 1.4178 0 3 5 66.46 3.65 1.4062 0 4 2 67.25 3.73 1.3917 2 0 6 67.26 2.65 1.3914 -1 1 7 67.78 5.84 1.3820 3 2 2 68.16 4.67 1.3753 3 0 4 69.16 6.54 1.3579 -1 4 2 69.39 3.60 1.3539 1 3 5 72.88 8.41 1.2973 -2 2 6 73.16 3.29 1.2930 -3 1 5 75.21 2.08 1.2628 -3 3 1 75.65 5.19 1.2565 2 2 6 76.03 1.72 1.2513 4 0 0 76.52 1.84 1.2445 3 2 4 76.92 3.57 1.2390 -1 4 4 76.97 2.32 1.2383 1 0 8 79.54 1.56 1.2046 4 0 2 79.75 2.99 1.2019 -3 3 3 81.81 1.69 1.1768 0 3 7 83.76 2.12 1.1542 -1 3 7 84.11 3.41 1.1503 4 2 0 84.72 1.30 1.1436 -2 4 4 85.03 2.22 1.1402 1 2 8 85.78 1.58 1.1322 -4 2 2 85.94 1.33 1.1304 1 5 1 86.50 1.60 1.1245 2 4 4 87.56 1.08 1.1137 4 2 2 88.01 3.09 1.1092 -1 1 9 88.01 3.09 1.1092 -1 1 9 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.