Derriksite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100223 Ginderow D, Cesbron F Acta Crystallographica C39 (1983) 1605-1607 Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Locality: Musoni, Shaba, Ziare Note: anisoB's from ICSD _database_code_amcsd 0009986 CELL PARAMETERS: 5.5841 19.1160 5.9759 90.000 90.000 90.000 SPACE GROUP: Pn2_1m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.60330 0.25120 0.00000 1.000 0.830 Cu 0.38770 0.75350 0.00000 1.000 0.780 Cu 0.10800 0.24550 0.24980 1.000 0.850 U 0.68480 0.00000 0.00000 1.000 1.150 Se -0.00790 0.41720 0.00000 1.000 1.290 Se 0.63890 0.57970 0.00000 1.000 1.350 O 0.41190 -0.04770 0.00000 1.000 2.800 O 0.95250 0.05090 0.00000 1.000 2.800 O 0.94190 0.33260 0.00000 1.000 1.300 O 0.69260 0.66480 0.00000 1.000 1.400 O 0.18090 0.42710 0.22070 1.000 2.200 O 0.44200 0.57390 0.21730 1.000 2.400 OH 0.00930 0.79930 0.00000 1.000 0.900 OH 0.22820 0.19460 0.00000 1.000 0.900 OH 0.78040 0.20620 0.24670 1.000 0.800 OH 0.42920 0.29540 0.25160 1.000 0.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 17 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 41.36776457 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.54 14.54 5.7037 0 1 1 15.87 3.72 5.5841 1 0 0 16.54 42.97 5.3601 1 1 0 18.40 26.01 4.8215 1 2 0 18.57 100.00 4.7790 0 4 0 20.37 45.99 4.3589 0 3 1 21.16 39.61 4.1997 1 3 0 21.78 46.67 4.0800 1 0 1 22.28 24.04 3.9902 1 1 1 23.71 67.15 3.7525 1 2 1 24.52 18.43 3.6309 1 4 0 25.93 35.13 3.4360 1 3 1 27.70 57.57 3.2205 0 5 1 28.01 9.63 3.1860 0 6 0 28.29 18.97 3.1547 1 5 0 28.77 21.25 3.1030 1 4 1 29.90 19.27 2.9880 0 0 2 31.37 26.22 2.8518 0 2 2 32.08 5.25 2.7898 1 5 1 32.35 2.80 2.7673 1 6 0 32.41 11.65 2.7627 2 1 0 33.43 8.16 2.6800 2 2 0 34.03 9.51 2.6345 1 0 2 34.36 8.92 2.6098 1 1 2 35.09 19.01 2.5573 2 3 0 35.34 9.44 2.5398 1 2 2 35.43 4.12 2.5335 0 4 2 35.49 8.98 2.5296 2 0 1 35.76 10.46 2.5111 1 6 1 35.81 14.45 2.5077 2 1 1 36.16 17.81 2.4838 0 7 1 36.63 7.86 2.4532 1 7 0 36.75 14.20 2.4454 2 2 1 36.92 34.90 2.4346 1 3 2 37.30 3.24 2.4108 2 4 0 37.64 4.97 2.3895 0 8 0 38.28 9.25 2.3511 2 3 1 39.04 29.26 2.3072 1 4 2 39.72 2.23 2.2694 1 7 1 39.99 18.19 2.2548 2 5 0 40.34 5.05 2.2357 2 4 1 41.09 1.74 2.1968 1 8 0 41.43 2.80 2.1795 0 6 2 41.63 18.21 2.1693 1 5 2 42.87 2.43 2.1096 2 5 1 43.08 9.30 2.0998 2 6 0 43.91 6.67 2.0619 1 8 1 44.63 2.01 2.0303 1 6 2 44.67 1.56 2.0285 2 1 2 45.31 6.73 2.0013 0 9 1 45.46 5.17 1.9951 2 2 2 45.70 4.61 1.9852 1 9 0 45.80 1.77 1.9812 0 1 3 45.80 2.12 1.9811 2 6 1 46.52 9.79 1.9523 2 7 0 46.76 8.23 1.9429 2 3 2 47.84 4.69 1.9012 0 3 3 47.98 21.07 1.8960 1 7 2 48.31 3.34 1.8840 1 9 1 48.52 5.86 1.8762 2 4 2 48.52 6.01 1.8762 1 0 3 48.77 2.63 1.8672 1 1 3 48.80 2.12 1.8661 0 8 2 48.93 3.99 1.8614 3 0 0 49.09 2.08 1.8558 2 7 1 49.51 9.57 1.8410 1 2 3 49.92 5.19 1.8270 3 2 0 50.26 1.77 1.8154 2 8 0 50.46 3.52 1.8086 1 10 0 50.72 4.66 1.7998 2 5 2 50.72 3.47 1.7998 1 3 3 51.64 17.00 1.7699 1 8 2 51.66 1.27 1.7695 3 1 1 51.75 7.55 1.7666 0 5 3 52.39 3.38 1.7464 1 4 3 52.69 2.20 1.7370 2 8 1 52.78 1.32 1.7345 3 4 0 52.89 5.22 1.7310 1 10 1 53.32 5.54 1.7180 2 6 2 53.53 5.64 1.7118 3 3 1 54.26 8.41 1.6905 2 9 0 55.14 1.01 1.6657 3 4 1 55.37 2.07 1.6593 1 11 0 55.58 10.88 1.6535 1 9 2 56.29 7.33 1.6343 2 7 2 56.58 2.63 1.6266 2 9 1 56.77 2.13 1.6216 2 0 3 56.96 1.85 1.6167 1 6 3 57.00 3.56 1.6158 2 1 3 57.16 9.45 1.6116 3 5 1 57.21 2.41 1.6103 0 10 2 57.24 3.60 1.6093 0 7 3 57.66 2.05 1.5988 1 11 1 57.66 3.90 1.5987 2 2 3 57.89 7.70 1.5930 0 12 0 58.41 12.70 1.5799 3 0 2 58.52 1.69 1.5773 2 10 0 58.63 8.53 1.5745 3 1 2 58.76 2.79 1.5715 2 3 3 59.28 1.99 1.5587 3 2 2 59.57 1.15 1.5520 3 6 1 59.59 3.31 1.5515 2 8 2 59.77 2.44 1.5472 1 10 2 60.27 1.66 1.5356 2 4 3 60.36 7.68 1.5335 3 3 2 60.73 3.36 1.5251 2 10 1 61.85 4.79 1.5000 3 4 2 62.13 10.56 1.4940 0 0 4 62.34 6.29 1.4895 3 7 1 62.60 5.40 1.4839 1 12 1 62.99 1.70 1.4757 1 8 3 63.00 2.26 1.4754 2 11 0 63.20 1.62 1.4713 2 9 2 63.74 2.75 1.4601 3 5 2 64.09 1.84 1.4530 0 9 3 64.20 2.45 1.4506 1 11 2 64.78 1.61 1.4391 1 1 4 65.12 3.42 1.4324 2 11 1 65.46 5.31 1.4259 0 4 4 66.42 2.70 1.4076 1 3 4 66.52 4.07 1.4057 0 12 2 67.10 1.64 1.3949 2 10 2 67.83 1.45 1.3816 1 4 4 67.85 1.14 1.3814 4 2 0 68.63 1.38 1.3675 3 7 2 68.85 2.03 1.3637 4 3 0 68.88 3.46 1.3632 1 12 2 68.89 2.79 1.3630 3 9 1 69.10 2.13 1.3594 4 0 1 69.63 2.64 1.3502 1 5 4 69.77 2.56 1.3480 2 12 1 69.89 3.16 1.3459 4 2 1 70.24 1.70 1.3400 4 4 0 70.30 1.95 1.3390 1 10 3 70.63 1.31 1.3336 3 10 0 70.85 2.07 1.3301 3 3 3 71.29 2.18 1.3229 2 11 2 71.60 1.63 1.3179 3 8 2 71.84 1.84 1.3141 2 1 4 72.01 1.37 1.3113 4 5 0 72.26 1.41 1.3076 4 4 1 72.42 1.52 1.3049 2 2 4 72.67 1.27 1.3011 2 13 0 73.08 2.47 1.2948 1 14 1 73.40 3.98 1.2900 2 3 4 73.47 1.17 1.2889 2 9 3 73.80 1.79 1.2840 1 13 2 73.98 4.33 1.2814 3 5 3 74.34 2.13 1.2760 1 7 4 74.66 1.75 1.2713 2 13 1 74.91 1.89 1.2677 3 9 2 74.97 1.59 1.2668 0 8 4 75.30 2.03 1.2620 4 1 2 76.13 1.55 1.2504 4 6 1 76.49 3.67 1.2454 2 5 4 76.66 1.93 1.2430 4 7 0 76.70 1.46 1.2425 1 15 0 76.74 1.05 1.2419 0 14 2 76.84 1.64 1.2406 4 3 2 77.13 1.59 1.2366 2 10 3 78.58 3.32 1.2174 3 7 3 78.59 2.39 1.2173 2 6 4 78.82 2.71 1.2143 1 12 3 79.13 1.85 1.2103 3 12 0 79.52 1.20 1.2054 4 8 0 79.82 1.60 1.2016 2 14 1 79.88 2.28 1.2008 4 5 2 80.37 1.33 1.1947 0 16 0 80.45 1.42 1.1937 1 9 4 81.05 2.82 1.1864 2 7 4 81.12 1.67 1.1856 2 11 3 82.52 1.03 1.1690 3 11 2 82.86 1.52 1.1651 3 0 4 83.29 1.47 1.1601 1 2 5 83.36 1.45 1.1593 2 15 0 83.61 2.03 1.1565 3 2 4 84.44 1.50 1.1472 1 15 2 84.61 1.60 1.1453 3 9 3 85.03 1.83 1.1407 0 5 5 85.44 1.35 1.1364 2 12 3 85.55 1.47 1.1351 4 2 3 86.82 4.82 1.1218 3 12 2 87.05 3.42 1.1195 2 9 4 88.19 1.22 1.1079 4 10 1 88.47 1.22 1.1051 0 17 1 88.58 1.56 1.1040 1 14 3 89.40 1.57 1.0960 5 1 1 89.51 1.25 1.0949 0 7 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.