Azurite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050638 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: 5.009944 5.847235 10.34569 90.00000 92.44787 90.00000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 17.19 61.54 5.1681 0 0 2 17.46 29.12 5.0893 0 1 1 17.76 11.36 5.0054 1 0 0 23.00 2.19 3.8724 0 1 2 23.43 7.55 3.8025 1 1 0 24.25 55.14 3.6748 -1 0 2 25.25 100.00 3.5317 1 1 1 25.32 1.20 3.5211 1 0 2 28.72 9.64 3.1114 -1 1 2 30.13 2.97 2.9684 0 1 3 30.60 14.01 2.9236 0 2 0 31.83 6.85 2.8132 0 2 1 34.58 11.19 2.5954 -1 1 3 35.29 26.31 2.5447 0 2 2 35.58 18.25 2.5245 1 2 0 35.75 37.85 2.5129 1 1 3 36.47 1.26 2.4647 -1 2 1 38.54 19.05 2.3372 -1 0 4 39.17 4.36 2.3008 2 1 0 39.40 30.68 2.2879 -1 2 2 39.82 28.40 2.2648 -2 1 1 39.96 1.52 2.2572 1 0 4 40.10 9.54 2.2493 1 2 2 40.52 32.73 2.2274 2 1 1 41.63 6.38 2.1702 -1 1 4 42.97 3.93 2.1057 1 1 4 44.98 2.44 2.0158 1 2 3 46.61 26.37 1.9490 0 1 5 46.61 2.58 1.9491 -2 1 3 47.85 6.45 1.9012 2 2 0 48.41 1.02 1.8808 -2 2 1 48.44 2.40 1.8796 2 1 3 49.62 6.28 1.8374 -2 0 4 49.97 18.84 1.8256 -1 2 4 50.97 7.63 1.7920 1 1 5 51.13 2.53 1.7867 1 2 4 51.21 6.56 1.7841 1 3 1 51.94 2.95 1.7606 2 0 4 54.06 2.91 1.6964 0 3 3 55.68 1.31 1.6508 -1 0 6 56.95 1.50 1.6170 -1 3 3 57.30 1.65 1.6079 1 0 6 57.30 1.39 1.6080 -3 0 2 57.75 19.58 1.5965 1 3 3 57.79 4.22 1.5954 -3 1 1 58.88 7.11 1.5683 3 0 2 59.41 5.33 1.5557 -2 2 4 60.17 1.09 1.5378 2 3 0 60.65 10.00 1.5269 -2 3 1 61.16 13.77 1.5152 2 3 1 61.46 1.18 1.5086 2 1 5 61.48 3.96 1.5082 2 2 4 62.88 11.12 1.4779 -3 1 3 63.65 4.81 1.4618 0 4 0 64.32 2.15 1.4482 -2 0 6 65.13 1.48 1.4321 3 1 3 65.15 8.86 1.4317 0 1 7 65.85 5.42 1.4181 0 3 5 66.46 3.65 1.4066 0 4 2 67.27 3.73 1.3915 2 0 6 67.26 2.65 1.3918 -1 1 7 67.80 5.84 1.3820 3 2 2 68.18 4.67 1.3752 3 0 4 69.15 6.54 1.3583 -1 4 2 69.39 3.60 1.3541 1 3 5 72.87 8.41 1.2977 -2 2 6 73.15 3.29 1.2935 -3 1 5 75.21 2.08 1.2630 -3 3 1 75.67 5.19 1.2565 2 2 6 76.04 1.72 1.2513 4 0 0 76.54 1.84 1.2444 3 2 4 76.91 3.57 1.2394 -1 4 4 76.98 2.32 1.2383 1 0 8 79.56 1.56 1.2045 4 0 2 79.74 2.99 1.2023 -3 3 3 81.81 1.69 1.1770 0 3 7 83.75 2.12 1.1545 -1 3 7 84.12 3.41 1.1504 4 2 0 84.70 1.30 1.1439 -2 4 4 85.04 2.22 1.1402 1 2 8 85.77 1.58 1.1324 -4 2 2 85.93 1.33 1.1307 1 5 1 86.51 1.60 1.1247 2 4 4 87.57 1.08 1.1137 4 2 2 87.99 3.09 1.1094 -1 1 9 87.99 3.09 1.1094 -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.