Vandenbrandeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080113 Rosenzweig A, Ryan R R Crystal Structure Communications 6 (1977) 53-56 Vandenbrandeite CuUO2(OH)4 Locality: Musonoi Mine, Kolwezi, Katanga, Zaire CELL PARAMETERS: 7.8750 5.4600 6.1120 91.400 101.930 89.840 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.09210 0.35090 0.85480 1.000 0.924 U 0.28400 0.14770 0.34220 1.000 0.770 OH 0.39400 0.40600 0.26900 1.000 1.367 O 0.83600 0.11300 0.60400 1.000 1.158 OH 0.21900 0.04900 0.94500 1.000 0.918 OH 0.01000 0.31600 0.13800 1.000 0.927 O 0.51700 0.89900 0.30400 1.000 1.273 OH 0.18600 0.40200 0.59900 1.000 1.196 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 90.66575433 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.48 1.30 7.7049 1 0 0 14.82 18.51 5.9782 0 0 1 16.24 19.85 5.4584 0 1 0 16.79 93.70 5.2815 -1 0 1 19.91 27.54 4.4588 -1 1 0 19.96 100.00 4.4491 1 1 0 20.60 8.07 4.3113 1 0 1 22.32 33.97 3.9829 0 1 1 23.09 25.62 3.8524 2 0 0 23.20 14.82 3.8340 -1 -1 1 23.67 9.62 3.7583 -1 1 1 26.10 43.65 3.4147 1 -1 1 28.32 16.68 3.1509 -2 1 0 28.39 6.56 3.1440 2 1 0 29.59 14.61 3.0193 -2 -1 1 29.74 20.33 3.0040 -1 0 2 29.89 6.03 2.9891 0 0 2 29.94 29.90 2.9848 -2 1 1 30.08 32.78 2.9707 2 0 1 32.82 1.33 2.7292 0 2 0 33.84 14.26 2.6491 0 -1 2 33.95 1.13 2.6407 -2 0 2 34.35 24.17 2.6107 1 0 2 34.42 11.50 2.6059 -1 1 2 34.56 7.18 2.5952 0 1 2 34.58 2.30 2.5942 2 1 1 34.85 4.94 2.5744 -1 2 0 34.90 8.11 2.5707 1 2 0 34.94 2.36 2.5683 3 0 0 35.06 15.60 2.5594 -3 0 1 35.83 11.84 2.5059 0 -2 1 36.52 7.53 2.4601 0 2 1 37.39 9.18 2.4051 -1 2 1 37.54 10.47 2.3960 -2 -1 2 37.87 1.47 2.3757 1 -1 2 38.55 10.93 2.3352 1 1 2 38.74 2.20 2.3246 -3 -1 1 38.78 4.28 2.3218 3 1 0 38.99 4.32 2.3101 -3 1 1 39.41 2.63 2.2866 1 2 1 40.46 3.32 2.2294 -2 2 0 40.55 6.79 2.2246 2 2 0 41.02 3.29 2.2005 3 0 1 41.28 9.23 2.1868 -2 -2 1 41.81 5.55 2.1606 -2 2 1 44.21 10.55 2.0487 3 -1 1 44.31 6.76 2.0442 -1 -2 2 44.40 1.62 2.0404 0 -2 2 44.55 2.10 2.0339 -1 0 3 44.56 6.69 2.0332 3 1 1 44.78 6.56 2.0239 2 -2 1 44.92 3.05 2.0180 2 -1 2 44.95 9.25 2.0166 -3 1 2 45.52 4.56 1.9927 0 0 3 45.53 4.85 1.9921 2 1 2 45.55 4.16 1.9914 0 2 2 46.80 9.03 1.9413 -2 0 3 47.18 1.74 1.9262 4 0 0 47.32 1.95 1.9212 -1 -1 3 47.43 2.09 1.9170 -2 -2 2 48.12 5.63 1.8909 -1 1 3 48.23 3.71 1.8868 0 -1 3 48.44 5.25 1.8791 -2 2 2 48.57 2.09 1.8745 -3 -2 1 48.62 10.46 1.8725 -3 2 0 48.74 3.95 1.8682 3 2 0 49.05 4.07 1.8574 0 1 3 49.43 6.90 1.8439 -4 -1 1 49.56 1.57 1.8393 1 0 3 50.14 1.79 1.8195 0 3 0 50.19 9.18 1.8178 -4 1 0 50.24 4.23 1.8161 -2 1 3 50.81 5.58 1.7971 -4 0 2 51.48 2.70 1.7751 3 0 2 51.59 4.56 1.7717 -1 3 0 52.19 3.65 1.7526 0 -3 1 52.86 3.34 1.7319 4 0 1 52.89 2.43 1.7310 1 1 3 52.90 3.29 1.7309 -1 -3 1 52.96 1.77 1.7289 0 3 1 53.31 5.13 1.7185 -3 -2 2 53.60 2.66 1.7098 -1 3 1 53.68 4.08 1.7074 2 -2 2 53.80 3.10 1.7040 3 2 1 54.07 4.59 1.6961 3 -1 2 54.21 3.71 1.6921 -3 2 2 54.36 1.93 1.6877 1 -3 1 54.44 7.26 1.6854 -3 -1 3 54.76 5.65 1.6763 2 2 2 55.13 1.70 1.6658 -3 1 3 55.16 6.17 1.6651 1 3 1 55.70 3.93 1.6501 -1 -2 3 55.83 2.71 1.6467 -2 3 0 55.84 3.19 1.6464 4 1 1 55.94 4.29 1.6437 2 3 0 56.18 3.01 1.6372 2 0 3 56.39 2.02 1.6316 -2 -3 1 57.13 4.45 1.6122 -1 2 3 57.86 3.31 1.5937 -4 -2 1 58.20 2.95 1.5852 -4 2 1 58.52 3.68 1.5774 2 -1 3 58.70 1.28 1.5729 -5 0 1 58.70 1.55 1.5728 -1 -3 2 58.73 1.67 1.5720 4 2 0 59.18 1.21 1.5613 2 -3 1 59.45 2.52 1.5549 -4 0 3 60.00 4.42 1.5418 1 -2 3 60.04 2.75 1.5410 5 0 0 60.18 1.29 1.5376 0 3 2 61.29 1.80 1.5124 -2 -3 2 61.41 1.90 1.5097 -5 1 1 61.44 1.60 1.5092 1 2 3 61.47 2.79 1.5084 1 -3 2 62.10 2.58 1.4946 0 0 4 62.20 2.22 1.4924 -4 2 2 62.38 1.90 1.4887 -3 -3 1 62.49 1.35 1.4863 -3 3 0 62.53 1.15 1.4854 4 0 2 62.57 2.93 1.4845 -2 3 2 62.68 2.23 1.4821 5 1 0 62.77 3.20 1.4803 -1 -1 4 62.90 1.26 1.4775 1 3 2 63.45 1.13 1.4661 -3 2 3 64.14 3.12 1.4518 -5 -1 2 64.51 2.28 1.4444 -5 1 2 64.76 1.17 1.4395 -2 1 4 64.88 1.16 1.4371 3 0 3 65.11 2.01 1.4326 0 1 4 65.44 1.26 1.4263 -3 0 4 66.10 1.90 1.4136 1 0 4 66.35 2.19 1.4089 -3 -3 2 67.74 1.69 1.3833 3 1 3 68.25 1.14 1.3741 5 1 1 68.34 1.05 1.3726 -3 1 4 68.77 1.21 1.3651 -5 -2 1 68.80 2.77 1.3646 0 4 0 69.00 2.10 1.3611 -4 -2 3 69.05 3.28 1.3603 0 -3 3 70.05 1.28 1.3432 -5 2 0 70.08 1.39 1.3427 -2 -3 3 70.90 3.09 1.3292 -2 -2 4 71.00 2.27 1.3276 -1 -4 1 71.00 1.99 1.3276 0 3 3 71.04 2.12 1.3269 -5 -1 3 71.19 1.08 1.3245 0 -2 4 71.26 1.77 1.3234 0 4 1 71.40 1.59 1.3212 4 3 0 71.95 2.35 1.3123 4 -2 2 72.22 1.39 1.3081 1 -4 1 72.55 2.31 1.3030 -2 2 4 72.93 1.22 1.2971 4 2 2 73.45 1.28 1.2892 -4 -1 4 73.58 1.66 1.2872 -2 4 0 74.01 1.06 1.2809 3 -3 2 74.09 1.95 1.2797 -6 0 2 74.27 1.08 1.2769 -6 -1 1 74.70 1.06 1.2707 -4 3 2 74.95 1.21 1.2671 5 0 2 75.04 2.20 1.2658 5 -2 1 75.22 2.09 1.2633 2 1 4 75.41 2.75 1.2605 3 3 2 75.43 1.51 1.2602 4 -3 1 75.62 2.38 1.2576 5 2 1 75.96 1.21 1.2528 -3 3 3 76.25 1.24 1.2488 4 3 1 76.64 1.18 1.2433 1 2 4 77.05 1.85 1.2377 5 -1 2 77.36 2.42 1.2335 2 4 1 77.39 1.15 1.2331 4 -1 3 77.51 1.96 1.2315 -1 4 2 78.35 1.11 1.2205 1 -4 2 78.98 1.22 1.2123 -5 2 3 79.29 1.01 1.2082 -3 -4 1 79.59 1.12 1.2045 2 3 3 79.59 1.48 1.2045 -5 0 4 79.64 1.05 1.2039 3 4 0 79.94 1.09 1.2001 -3 4 1 80.06 1.13 1.1985 1 4 2 80.57 1.09 1.1923 -2 -1 5 80.57 1.28 1.1923 -5 -3 1 81.19 1.49 1.1848 -1 1 5 81.47 1.64 1.1814 -6 2 1 81.64 1.00 1.1794 -4 2 4 81.69 1.12 1.1788 6 -1 1 82.68 1.40 1.1672 -6 1 3 83.22 1.16 1.1609 6 2 0 83.65 1.62 1.1560 -1 3 4 85.35 1.27 1.1373 4 2 3 85.60 1.16 1.1347 -3 -3 4 87.91 1.05 1.1107 -3 3 4 88.28 1.41 1.1070 -4 -1 5 88.47 1.14 1.1051 0 -2 5 89.14 1.28 1.0985 3 -2 4 89.67 1.46 1.0934 -4 -4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.