Namibite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060782 Kolitsch U, Giester G American Mineralogist 85 (2000) 1298-1301 The crystal structure of namibite, Cu(BiO)2VO4(OH), and a revision of its symmetry CELL PARAMETERS: 6.1220 7.2800 7.3800 90.060 108.940 107.190 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Bi 0.50921 0.12785 0.29598 1.000 0.809 Bi 0.47248 -0.37572 0.28136 1.000 0.854 Cu 0.00000 0.50000 0.50000 1.000 0.657 Cu 0.00000 0.00000 0.50000 1.000 0.678 V 0.09600 0.27640 0.92440 1.000 0.902 O 0.21530 0.48960 0.85880 1.000 1.709 O 0.21050 0.12500 0.84890 1.000 1.580 O -0.21660 0.20100 0.82880 1.000 1.208 O 0.20930 0.30430 0.17420 1.000 0.960 O 0.66470 0.41080 0.48340 1.000 0.665 OH 0.95680 0.23690 0.41090 1.000 1.067 O 0.66120 -0.08150 0.48420 1.000 0.696 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 100.9325023 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.76 39.94 6.9401 0 0 1 16.12 100.00 5.4999 1 0 0 16.82 8.97 5.2704 -1 0 1 17.10 3.10 5.1845 0 -1 1 18.81 1.34 4.7173 -1 1 1 23.35 3.77 3.8098 -1 -1 1 23.81 2.14 3.7364 1 -1 1 23.82 2.68 3.7361 1 0 1 25.26 77.21 3.5252 -1 0 2 25.67 26.88 3.4701 0 0 2 27.33 1.91 3.2638 -1 1 2 27.49 2.63 3.2441 0 -1 2 27.56 24.19 3.2363 0 -2 1 27.60 22.08 3.2325 -1 2 1 29.47 1.06 3.0305 -1 -1 2 29.61 1.72 3.0173 -2 1 1 30.03 3.30 2.9760 0 1 2 30.09 69.86 2.9700 0 2 1 30.10 71.30 2.9689 1 -2 1 30.63 16.92 2.9191 -2 0 1 31.01 3.89 2.8838 -2 1 0 32.56 42.64 2.7500 2 0 0 33.97 44.96 2.6387 -1 -2 1 34.02 16.32 2.6352 -2 0 2 34.04 42.33 2.6338 -2 2 1 34.60 3.79 2.5922 0 -2 2 34.64 5.89 2.5896 -1 2 2 34.95 41.32 2.5671 1 0 2 36.66 28.22 2.4510 -1 0 3 38.09 6.28 2.3627 -1 -2 2 38.16 7.74 2.3586 -2 2 2 38.69 10.65 2.3275 0 2 2 38.69 8.15 2.3274 1 -2 2 38.84 1.53 2.3184 2 1 0 38.93 2.10 2.3134 0 0 3 39.12 1.71 2.3024 2 0 1 40.03 17.61 2.2522 1 2 1 40.08 17.50 2.2499 2 -2 1 41.60 7.80 2.1710 -2 0 3 44.74 13.82 2.0258 0 -2 3 44.77 12.86 2.0242 -1 2 3 45.05 1.62 2.0124 2 1 1 45.74 1.34 1.9835 -3 1 2 45.93 7.32 1.9757 -1 -2 3 46.00 5.75 1.9731 -2 2 3 46.09 10.32 1.9692 -2 -2 1 46.17 8.99 1.9660 -3 2 1 46.71 1.58 1.9447 1 -1 3 47.54 5.20 1.9126 1 0 3 47.57 12.72 1.9116 -3 0 2 47.74 1.22 1.9049 -2 -2 2 47.83 1.79 1.9017 -3 2 2 48.31 1.13 1.8841 2 2 0 48.38 1.71 1.8815 -3 2 0 48.71 1.57 1.8692 1 2 2 48.74 1.01 1.8682 2 -2 2 48.75 4.19 1.8681 2 0 2 49.41 3.17 1.8444 -1 0 4 49.71 3.76 1.8340 1 -2 3 49.72 3.15 1.8339 0 2 3 49.73 7.21 1.8333 3 0 0 50.12 23.61 1.8200 -1 4 0 51.87 2.73 1.7626 -2 0 4 51.95 2.06 1.7603 -1 4 1 52.06 10.77 1.7568 -3 0 3 52.63 1.21 1.7391 -3 -1 1 52.76 4.07 1.7350 0 0 4 52.97 5.25 1.7287 0 4 0 52.98 5.44 1.7282 -2 -2 3 53.02 4.81 1.7270 -2 4 0 53.07 4.39 1.7257 -3 2 3 53.28 1.04 1.7193 -2 4 1 53.33 1.69 1.7179 3 -1 1 54.02 13.33 1.6975 2 2 1 54.08 12.89 1.6958 3 -2 1 56.32 2.52 1.6335 -1 -2 4 56.38 2.87 1.6319 -2 2 4 56.75 10.21 1.6221 0 -2 4 56.79 10.96 1.6211 -1 2 4 56.90 9.34 1.6182 0 -4 2 56.98 8.04 1.6162 -2 4 2 57.14 3.14 1.6121 1 -4 2 57.16 2.45 1.6115 -1 4 2 59.69 6.02 1.5490 1 2 3 59.71 6.50 1.5485 2 -2 3 59.84 1.24 1.5457 -1 -4 1 59.95 2.11 1.5431 -3 4 1 60.42 2.50 1.5321 2 0 3 61.01 7.84 1.5188 1 4 0 61.10 7.28 1.5166 -3 4 0 61.17 7.94 1.5152 -2 -2 4 61.24 1.28 1.5135 1 0 4 61.25 8.45 1.5134 -3 2 4 61.37 5.27 1.5108 -3 -2 2 61.37 4.43 1.5106 -3 -2 1 61.46 5.84 1.5086 -4 2 2 61.47 3.95 1.5086 -4 2 1 61.91 3.14 1.4988 -1 -4 2 62.03 2.22 1.4963 -3 4 2 62.40 2.13 1.4882 1 -2 4 62.41 2.70 1.4880 0 2 4 62.55 5.97 1.4850 0 4 2 62.58 6.41 1.4844 2 -4 2 62.58 1.06 1.4843 2 2 2 63.28 2.90 1.4696 -1 0 5 63.65 3.96 1.4620 0 -4 3 63.73 5.01 1.4604 -2 4 3 63.77 2.40 1.4595 -4 0 2 64.04 7.31 1.4539 -2 0 5 64.45 2.13 1.4458 -4 0 1 64.53 1.49 1.4441 -3 -2 3 64.63 1.13 1.4421 -4 2 3 64.77 1.21 1.4394 -4 3 1 65.13 6.72 1.4322 3 0 2 65.24 1.16 1.4301 -1 4 3 66.21 1.13 1.4114 -4 0 3 67.05 1.14 1.3959 -1 -4 3 67.17 1.73 1.3936 -3 4 3 67.48 5.76 1.3880 0 0 5 68.20 4.21 1.3750 4 0 0 69.69 1.96 1.3493 -3 0 5 70.64 1.89 1.3334 -3 -2 4 70.69 1.74 1.3327 3 2 1 70.74 1.93 1.3317 -4 2 4 70.76 1.58 1.3315 4 -2 1 71.51 3.29 1.3194 -2 -4 2 71.56 1.84 1.3186 0 4 3 71.57 1.19 1.3183 2 -4 3 71.66 2.45 1.3169 -4 4 2 72.48 1.41 1.3041 1 4 2 72.54 2.10 1.3031 1 2 4 72.54 1.47 1.3031 3 -4 2 72.55 1.75 1.3029 2 -2 4 73.00 1.20 1.2961 0 -4 4 73.22 2.16 1.2926 2 4 0 73.36 1.67 1.2906 -4 4 0 73.83 2.51 1.2836 2 0 4 75.08 3.28 1.2652 -2 -4 3 75.25 3.76 1.2628 -4 4 3 75.72 1.75 1.2561 1 -4 4 75.76 1.21 1.2555 -1 4 4 76.24 1.76 1.2488 1 0 5 76.66 1.02 1.2430 1 -2 5 79.28 1.95 1.2085 -4 -2 1 79.38 1.66 1.2072 -5 2 1 79.75 3.15 1.2025 -4 0 5 80.26 1.37 1.1960 1 -6 1 80.31 1.01 1.1955 -2 6 1 81.51 3.75 1.1809 -1 6 1 81.53 3.89 1.1807 2 -6 1 82.49 1.09 1.1694 -5 0 2 82.84 3.51 1.1653 -1 -2 6 82.90 3.64 1.1646 -2 2 6 83.50 2.46 1.1578 -5 0 3 83.56 2.61 1.1571 0 -6 1 83.67 2.18 1.1559 -3 6 1 84.08 1.26 1.1512 4 0 2 84.15 2.10 1.1505 -4 -2 4 84.26 2.14 1.1492 -5 2 4 84.57 1.34 1.1459 -2 -2 6 84.65 1.33 1.1449 -3 2 6 84.84 1.17 1.1429 -2 4 5 85.13 1.32 1.1397 -3 -4 2 85.41 3.05 1.1367 -1 -4 5 85.55 3.22 1.1352 -3 4 5 85.93 1.17 1.1311 -5 4 1 86.11 1.11 1.1293 -3 6 2 86.41 2.87 1.1261 2 4 2 86.52 2.90 1.1250 4 -4 2 87.22 1.40 1.1177 0 6 1 87.30 1.33 1.1168 3 -6 1 88.59 2.35 1.1039 1 -4 5 88.64 2.71 1.1034 -1 4 5 89.19 1.66 1.0980 2 0 5 89.20 1.95 1.0979 3 4 0 89.37 1.63 1.0963 -5 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.