Vandenbrandeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080114 Rosenzweig A, Ryan R R Crystal Structure Communications 6 (1977) 53-56 Vandenbrandeite CuUO2(OH)4 Locality: Musonoi Mine, Kolwezi, Katanga, Zaire CELL PARAMETERS: 7.8410 5.4340 6.0880 91.330 101.850 89.930 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.09210 0.35090 0.85480 1.000 0.917 U 0.28400 0.14770 0.34220 1.000 0.764 OH 0.39400 0.40600 0.26900 1.000 1.356 O 0.83600 0.11300 0.60400 1.000 1.149 OH 0.21900 0.04900 0.94500 1.000 0.910 OH 0.01000 0.31600 0.13800 1.000 0.920 O 0.51700 0.89900 0.30400 1.000 1.262 OH 0.18600 0.40200 0.59900 1.000 1.187 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 4 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 92.03880174 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.52 / 11.55 1.31 / 0.65 7.6738 1 0 0 14.86 / 14.90 18.58 / 9.29 5.9566 0 0 1 16.30 / 16.34 19.88 / 9.94 5.4325 0 1 0 16.85 / 16.89 93.86 / 46.93 5.2574 -1 0 1 19.97 / 20.02 27.62 / 13.81 4.4415 -1 1 0 20.04 / 20.09 100.00 / 50.00 4.4264 1 1 0 20.65 / 20.70 8.11 / 4.05 4.2973 1 0 1 22.39 / 22.44 34.08 / 17.04 3.9678 0 1 1 23.16 / 23.22 25.68 / 12.84 3.8369 2 0 0 23.31 / 23.37 14.80 / 7.40 3.8128 -1 -1 1 23.75 / 23.81 9.64 / 4.82 3.7440 -1 1 1 26.17 / 26.24 43.78 / 21.89 3.4018 1 -1 1 28.41 / 28.48 16.73 / 8.37 3.1394 -2 1 0 28.51 / 28.58 6.56 / 3.28 3.1287 2 1 0 29.73 / 29.81 14.58 / 7.29 3.0026 -2 -1 1 29.84 / 29.92 20.37 / 10.18 2.9915 -1 0 2 29.98 / 30.05 6.05 / 3.02 2.9783 0 0 2 30.03 / 30.11 29.97 / 14.98 2.9732 -2 1 1 30.16 / 30.24 32.89 / 16.45 2.9607 2 0 1 32.95 / 33.03 1.33 / 0.67 2.7163 0 2 0 33.96 / 34.04 14.28 / 7.14 2.6378 0 -1 2 34.08 / 34.17 1.14 / 0.57 2.6287 -2 0 2 34.44 / 34.53 24.25 / 12.12 2.6021 1 0 2 34.52 / 34.61 11.53 / 5.76 2.5963 -1 1 2 34.66 / 34.75 7.20 / 3.60 2.5861 0 1 2 34.69 / 34.78 2.31 / 1.16 2.5840 2 1 1 34.97 / 35.06 4.95 / 2.47 2.5635 -1 2 0 35.05 / 35.14 2.37 / 1.18 2.5579 3 0 0 35.06 / 35.15 8.10 / 4.05 2.5577 1 2 0 35.20 / 35.29 15.61 / 7.80 2.5478 -3 0 1 35.99 / 36.08 11.83 / 5.92 2.4936 0 -2 1 36.65 / 36.75 7.54 / 3.77 2.4498 0 2 1 37.51 / 37.61 9.19 / 4.59 2.3955 -1 2 1 37.71 / 37.81 10.45 / 5.23 2.3833 -2 -1 2 37.98 / 38.08 1.47 / 0.74 2.3669 1 -1 2 38.66 / 38.76 10.95 / 5.48 2.3272 1 1 2 38.92 / 39.02 2.20 / 1.10 2.3124 -3 -1 1 38.94 / 39.04 4.29 / 2.14 2.3110 3 1 0 39.12 / 39.22 4.32 / 2.16 2.3010 -3 1 1 39.55 / 39.65 2.63 / 1.32 2.2766 1 2 1 40.59 / 40.70 3.32 / 1.66 2.2208 -2 2 0 40.74 / 40.84 6.78 / 3.39 2.2132 2 2 0 41.13 / 41.24 3.30 / 1.65 2.1928 3 0 1 41.49 / 41.60 9.18 / 4.59 2.1746 -2 -2 1 41.94 / 42.05 5.55 / 2.78 2.1523 -2 2 1 44.33 / 44.45 10.57 / 5.28 2.0417 3 -1 1 44.52 / 44.63 6.74 / 3.37 2.0335 -1 -2 2 44.58 / 44.70 1.62 / 0.81 2.0308 0 -2 2 44.70 / 44.81 2.09 / 1.05 2.0258 -1 0 3 44.71 / 44.83 6.69 / 3.34 2.0251 3 1 1 44.92 / 45.04 6.57 / 3.28 2.0161 2 -2 1 45.04 / 45.16 3.06 / 1.53 2.0111 2 -1 2 45.11 / 45.22 9.25 / 4.63 2.0084 -3 1 2 45.65 / 45.77 4.56 / 2.28 1.9855 0 0 3 45.66 / 45.78 4.85 / 2.43 1.9852 2 1 2 45.69 / 45.81 4.16 / 2.08 1.9839 0 2 2 46.97 / 47.09 9.02 / 4.51 1.9329 -2 0 3 47.35 / 47.47 1.74 / 0.87 1.9185 4 0 0 47.50 / 47.63 1.95 / 0.97 1.9125 -1 -1 3 47.66 / 47.79 2.08 / 1.04 1.9064 -2 -2 2 48.27 / 48.39 5.63 / 2.82 1.8840 -1 1 3 48.40 / 48.53 3.71 / 1.85 1.8791 0 -1 3 48.60 / 48.72 5.25 / 2.63 1.8720 -2 2 2 48.77 / 48.90 10.46 / 5.23 1.8656 -3 2 0 48.81 / 48.94 2.08 / 1.04 1.8642 -3 -2 1 48.96 / 49.09 3.93 / 1.97 1.8588 3 2 0 49.18 / 49.31 4.08 / 2.04 1.8509 0 1 3 49.65 / 49.78 6.88 / 3.44 1.8347 -4 -1 1 49.70 / 49.83 1.57 / 0.79 1.8331 1 0 3 50.34 / 50.48 9.19 / 4.59 1.8110 -4 1 0 50.35 / 50.48 1.78 / 0.89 1.8108 0 3 0 50.40 / 50.53 4.23 / 2.12 1.8091 -2 1 3 51.02 / 51.15 5.57 / 2.79 1.7887 -4 0 2 51.62 / 51.76 2.71 / 1.35 1.7692 3 0 2 51.79 / 51.93 4.55 / 2.27 1.7639 -1 3 0 52.42 / 52.56 3.64 / 1.82 1.7440 0 -3 1 53.02 / 53.17 3.34 / 1.67 1.7256 4 0 1 53.04 / 53.18 2.44 / 1.22 1.7252 1 1 3 53.15 / 53.29 3.27 / 1.64 1.7218 -1 -3 1 53.17 / 53.31 1.76 / 0.88 1.7213 0 3 1 53.58 / 53.73 5.10 / 2.55 1.7089 -3 -2 2 53.80 / 53.94 2.66 / 1.33 1.7026 -1 3 1 53.85 / 54.00 4.08 / 2.04 1.7009 2 -2 2 54.01 / 54.15 3.10 / 1.55 1.6965 3 2 1 54.22 / 54.36 4.60 / 2.30 1.6904 3 -1 2 54.38 / 54.53 3.71 / 1.85 1.6856 -3 2 2 54.58 / 54.72 1.92 / 0.96 1.6802 1 -3 1 54.69 / 54.84 7.23 / 3.61 1.6768 -3 -1 3 54.94 / 55.09 5.65 / 2.82 1.6698 2 2 2 55.33 / 55.48 1.70 / 0.85 1.6590 -3 1 3 55.38 / 55.53 6.15 / 3.08 1.6575 1 3 1 55.95 / 56.10 3.91 / 1.96 1.6421 -1 -2 3 56.03 / 56.18 2.71 / 1.35 1.6399 -2 3 0 56.03 / 56.18 3.19 / 1.60 1.6399 4 1 1 56.20 / 56.35 4.27 / 2.13 1.6353 2 3 0 56.33 / 56.48 3.02 / 1.51 1.6319 2 0 3 56.68 / 56.83 2.00 / 1.00 1.6227 -2 -3 1 57.31 / 57.47 4.45 / 2.23 1.6063 -1 2 3 58.15 / 58.31 3.29 / 1.65 1.5852 -4 -2 1 58.39 / 58.55 2.95 / 1.48 1.5792 -4 2 1 58.68 / 58.84 3.69 / 1.85 1.5720 2 -1 3 58.93 / 59.09 1.28 / 0.64 1.5660 -5 0 1 58.99 / 59.15 1.55 / 0.77 1.5646 -1 -3 2 59.00 / 59.16 1.67 / 0.83 1.5644 4 2 0 59.39 / 59.56 1.21 / 0.60 1.5548 2 -3 1 59.70 / 59.86 2.51 / 1.26 1.5476 -4 0 3 60.21 / 60.38 4.42 / 2.21 1.5356 1 -2 3 60.25 / 60.42 2.75 / 1.37 1.5348 5 0 0 60.40 / 60.56 1.29 / 0.65 1.5314 0 3 2 61.61 / 61.78 1.78 / 0.89 1.5041 -2 -3 2 61.62 / 61.79 1.60 / 0.80 1.5038 1 2 3 61.63 / 61.80 1.90 / 0.95 1.5037 -5 1 1 61.72 / 61.89 2.78 / 1.39 1.5017 1 -3 2 62.30 / 62.47 2.58 / 1.29 1.4892 0 0 4 62.42 / 62.59 2.22 / 1.11 1.4866 -4 2 2 62.70 / 62.88 1.35 / 0.67 1.4805 -3 3 0 62.70 / 62.88 1.89 / 0.95 1.4805 -3 -3 1 62.71 / 62.88 1.15 / 0.58 1.4803 4 0 2 62.79 / 62.96 2.93 / 1.47 1.4787 -2 3 2 62.94 / 63.11 2.23 / 1.11 1.4756 5 1 0 63.01 / 63.18 3.20 / 1.60 1.4740 -1 -1 4 63.13 / 63.31 1.25 / 0.63 1.4714 1 3 2 63.66 / 63.84 1.14 / 0.57 1.4605 -3 2 3 64.45 / 64.63 3.10 / 1.55 1.4445 -5 -1 2 64.76 / 64.94 2.28 / 1.14 1.4384 -5 1 2 64.98 / 65.16 1.17 / 0.58 1.4340 -2 1 4 65.06 / 65.24 1.17 / 0.58 1.4324 3 0 3 65.30 / 65.49 2.02 / 1.01 1.4277 0 1 4 65.70 / 65.89 1.26 / 0.63 1.4200 -3 0 4 66.29 / 66.48 1.90 / 0.95 1.4088 1 0 4 66.71 / 66.90 2.18 / 1.09 1.4010 -3 -3 2 67.93 / 68.13 1.70 / 0.85 1.3787 3 1 3 68.50 / 68.69 1.14 / 0.57 1.3686 5 1 1 68.59 / 68.79 1.05 / 0.53 1.3670 -3 1 4 69.11 / 69.30 2.76 / 1.38 1.3581 0 4 0 69.11 / 69.30 1.20 / 0.60 1.3581 -5 -2 1 69.35 / 69.55 3.26 / 1.63 1.3539 0 -3 3 69.37 / 69.56 2.09 / 1.04 1.3536 -4 -2 3 70.28 / 70.48 1.29 / 0.64 1.3383 -5 2 0 70.44 / 70.64 1.38 / 0.69 1.3356 -2 -3 3 71.24 / 71.44 3.08 / 1.54 1.3227 -2 -2 4 71.24 / 71.44 1.99 / 1.00 1.3226 0 3 3 71.35 / 71.56 2.26 / 1.13 1.3208 -1 -4 1 71.39 / 71.60 2.11 / 1.05 1.3201 -5 -1 3 71.47 / 71.67 1.08 / 0.54 1.3189 0 -2 4 71.56 / 71.76 1.77 / 0.88 1.3175 0 4 1 71.75 / 71.95 1.59 / 0.79 1.3145 4 3 0 72.17 / 72.38 2.35 / 1.18 1.3078 4 -2 2 72.54 / 72.75 1.39 / 0.69 1.3021 1 -4 1 72.79 / 73.00 2.31 / 1.16 1.2981 -2 2 4 73.19 / 73.41 1.21 / 0.61 1.2920 4 2 2 73.80 / 74.02 1.27 / 0.64 1.2828 -4 -1 4 73.88 / 74.09 1.66 / 0.83 1.2817 -2 4 0 74.27 / 74.48 1.06 / 0.53 1.2760 3 -3 2 74.41 / 74.63 1.94 / 0.97 1.2739 -6 0 2 74.61 / 74.83 1.08 / 0.54 1.2709 -6 -1 1 74.97 / 75.19 1.06 / 0.53 1.2658 -4 3 2 75.18 / 75.40 1.22 / 0.61 1.2628 5 0 2 75.28 / 75.50 2.20 / 1.10 1.2613 5 -2 1 75.44 / 75.66 2.09 / 1.05 1.2591 2 1 4 75.69 / 75.91 1.51 / 0.76 1.2555 4 -3 1 75.71 / 75.93 2.75 / 1.37 1.2552 3 3 2 75.93 / 76.15 2.38 / 1.19 1.2521 5 2 1 76.23 / 76.45 1.21 / 0.61 1.2480 -3 3 3 76.59 / 76.81 1.24 / 0.62 1.2430 4 3 1 76.88 / 77.10 1.18 / 0.59 1.2391 1 2 4 77.29 / 77.51 1.85 / 0.93 1.2335 5 -1 2 77.62 / 77.85 1.15 / 0.57 1.2290 4 -1 3 77.72 / 77.95 2.42 / 1.21 1.2277 2 4 1 77.81 / 78.04 1.96 / 0.98 1.2265 -1 4 2 78.70 / 78.93 1.11 / 0.55 1.2149 1 -4 2 79.28 / 79.51 1.22 / 0.61 1.2075 -5 2 3 79.73 / 79.97 1.01 / 0.50 1.2017 -3 -4 1 79.87 / 80.11 1.12 / 0.56 1.1999 2 3 3 79.96 / 80.20 1.48 / 0.74 1.1989 -5 0 4 80.05 / 80.29 1.04 / 0.52 1.1977 3 4 0 80.25 / 80.49 1.09 / 0.54 1.1953 -3 4 1 80.40 / 80.64 1.13 / 0.57 1.1934 1 4 2 80.92 / 81.16 1.09 / 0.54 1.1871 -2 -1 5 81.01 / 81.25 1.28 / 0.64 1.1859 -5 -3 1 81.46 / 81.71 1.50 / 0.75 1.1805 -1 1 5 81.76 / 82.01 1.65 / 0.82 1.1769 -6 2 1 81.94 / 82.19 1.01 / 0.50 1.1748 -4 2 4 81.96 / 82.21 1.13 / 0.56 1.1746 6 -1 1 83.03 / 83.28 1.40 / 0.70 1.1621 -6 1 3 83.61 / 83.87 1.16 / 0.58 1.1555 6 2 0 83.95 / 84.20 1.62 / 0.81 1.1518 -1 3 4 85.65 / 85.92 1.27 / 0.64 1.1331 4 2 3 86.08 / 86.34 1.16 / 0.58 1.1286 -3 -3 4 88.23 / 88.51 1.06 / 0.53 1.1065 -3 3 4 88.72 / 89.00 1.41 / 0.71 1.1017 -4 -1 5 88.84 / 89.12 1.14 / 0.57 1.1005 0 -2 5 89.44 / 89.73 1.28 / 0.64 1.0947 3 -2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.