Namibite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100182 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 _database_code_amcsd 0002512 CELL PARAMETERS: 6.1830 7.3220 7.4500 90.110 108.670 107.450 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 0.855 Cu 0.00000 0.50000 0.50000 1.000 0.658 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 1.579 O -0.21660 0.20100 0.82880 1.000 1.207 O 0.20930 0.30430 0.17420 1.000 0.960 O 0.66470 0.41080 0.48340 1.000 0.666 OH 0.95680 0.23690 0.41090 1.000 1.067 O 0.66120 -0.08150 0.48420 1.000 0.697 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 98.11490410 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.62 39.99 7.0164 0 0 1 15.95 100.00 5.5552 1 0 0 16.70 8.93 5.3098 -1 0 1 16.96 3.10 5.2268 0 -1 1 18.66 1.34 4.7560 -1 1 1 23.23 3.74 3.8291 -1 -1 1 23.51 2.16 3.7847 1 -1 1 23.53 2.70 3.7806 1 0 1 25.05 77.11 3.5543 -1 0 2 25.39 27.01 3.5082 0 0 2 27.10 1.91 3.2907 -1 1 2 27.21 2.65 3.2774 0 -1 2 27.40 24.01 3.2552 0 -2 1 27.41 21.96 3.2542 -1 2 1 29.27 1.06 3.0507 -1 -1 2 29.31 1.73 3.0467 -2 1 1 29.75 3.32 3.0031 0 1 2 29.78 71.70 2.9996 1 -2 1 29.93 69.32 2.9859 0 2 1 30.37 16.94 2.9433 -2 0 1 30.64 3.93 2.9177 -2 1 0 32.23 42.84 2.7776 2 0 0 33.72 42.50 2.6584 -2 2 1 33.76 16.30 2.6549 -2 0 2 33.83 44.50 2.6498 -1 -2 1 34.31 3.80 2.6134 0 -2 2 34.39 5.88 2.6081 -1 2 2 34.52 41.82 2.5980 1 0 2 36.32 28.36 2.4733 -1 0 3 37.83 7.74 2.3780 -2 2 2 37.87 6.23 2.3755 -1 -2 2 38.23 8.25 2.3542 1 -2 2 38.40 10.65 2.3441 0 2 2 38.49 2.11 2.3388 0 0 3 38.54 1.53 2.3361 2 1 0 38.67 1.74 2.3286 2 0 1 39.56 17.79 2.2780 2 -2 1 39.77 17.56 2.2663 1 2 1 41.27 7.81 2.1877 -2 0 3 44.29 13.93 2.0451 0 -2 3 44.40 12.90 2.0403 -1 2 3 44.62 1.63 2.0307 2 1 1 45.32 1.35 2.0012 -3 1 2 45.60 7.33 1.9895 -1 -2 3 45.61 5.78 1.9889 -2 2 3 45.67 9.10 1.9866 -3 2 1 45.85 10.26 1.9792 -2 -2 1 46.10 1.61 1.9691 1 -1 3 46.95 5.28 1.9354 1 0 3 47.17 12.77 1.9267 -3 0 2 47.37 1.80 1.9193 -3 2 2 47.49 1.21 1.9145 -2 -2 2 47.78 1.74 1.9037 -3 2 0 48.00 1.13 1.8954 2 2 0 48.08 1.03 1.8923 2 -2 2 48.14 4.24 1.8903 2 0 2 48.31 1.58 1.8838 1 2 2 48.91 3.20 1.8621 -1 0 4 49.09 3.82 1.8558 1 -2 3 49.21 7.29 1.8517 3 0 0 49.28 3.16 1.8491 0 2 3 49.82 23.56 1.8305 -1 4 0 51.42 2.75 1.7772 -2 0 4 51.64 10.81 1.7699 -3 0 3 51.65 2.05 1.7697 -1 4 1 52.14 4.13 1.7541 0 0 4 52.21 1.22 1.7519 -3 -1 1 52.56 4.83 1.7411 -2 4 0 52.59 4.42 1.7403 -3 2 3 52.63 1.73 1.7390 3 -1 1 52.66 5.43 1.7382 -2 -2 3 52.73 5.21 1.7360 0 4 0 52.87 1.05 1.7316 -2 4 1 53.35 13.18 1.7173 3 -2 1 53.60 13.38 1.7098 2 2 1 55.82 2.53 1.6469 -1 -2 4 55.88 2.88 1.6454 -2 2 4 56.13 10.37 1.6387 0 -2 4 56.26 11.06 1.6351 -1 2 4 56.54 9.33 1.6276 0 -4 2 56.56 8.06 1.6271 -2 4 2 56.64 3.15 1.6252 1 -4 2 56.81 2.44 1.6205 -1 4 2 58.87 6.66 1.5686 2 -2 3 59.12 6.08 1.5627 1 2 3 59.36 2.13 1.5570 -3 4 1 59.58 1.23 1.5518 -1 -4 1 59.63 2.56 1.5506 2 0 3 60.43 7.38 1.5319 -3 4 0 60.45 1.31 1.5314 1 0 4 60.69 8.52 1.5258 -3 2 4 60.72 7.96 1.5254 -2 -2 4 60.73 7.78 1.5250 1 4 0 60.74 4.01 1.5248 -4 2 1 60.80 5.93 1.5234 -4 2 2 60.96 4.42 1.5198 -3 -2 1 60.98 5.27 1.5193 -3 -2 2 61.47 2.24 1.5085 -3 4 2 61.58 2.17 1.5060 1 -2 4 61.60 3.12 1.5055 -1 -4 2 61.78 2.73 1.5015 0 2 4 61.86 6.51 1.4998 2 -4 2 62.00 1.07 1.4967 2 2 2 62.18 5.95 1.4929 0 4 2 62.59 2.93 1.4842 -1 0 5 63.15 3.98 1.4724 0 -4 3 63.18 2.41 1.4717 -4 0 2 63.25 5.02 1.4703 -2 4 3 63.43 7.38 1.4666 -2 0 5 63.79 2.15 1.4590 -4 0 1 63.99 1.14 1.4550 -4 2 3 64.00 1.24 1.4549 -4 3 1 64.13 1.48 1.4522 -3 -2 3 64.29 6.87 1.4488 3 0 2 64.78 1.15 1.4391 -1 4 3 65.64 1.14 1.4224 -4 0 3 66.59 1.74 1.4043 -3 4 3 66.64 1.14 1.4034 -1 -4 3 66.65 5.87 1.4033 0 0 5 67.44 4.28 1.3888 4 0 0 69.07 1.97 1.3599 -3 0 5 69.76 1.61 1.3481 4 -2 1 70.05 1.75 1.3433 3 2 1 70.07 1.94 1.3430 -4 2 4 70.16 1.89 1.3415 -3 -2 4 70.67 1.21 1.3329 2 -4 3 70.90 2.48 1.3292 -4 4 2 71.04 1.84 1.3269 0 4 3 71.16 3.26 1.3249 -2 -4 2 71.49 1.79 1.3197 2 -2 4 71.57 1.50 1.3184 3 -4 2 71.75 2.13 1.3155 1 2 4 72.00 1.40 1.3116 1 4 2 72.31 1.21 1.3067 0 -4 4 72.42 1.69 1.3050 -4 4 0 72.81 2.57 1.2990 2 0 4 72.83 2.15 1.2986 2 4 0 74.49 3.80 1.2737 -4 4 3 74.68 3.27 1.2711 -2 -4 3 74.84 1.78 1.2687 1 -4 4 75.14 1.22 1.2643 -1 4 4 75.21 1.79 1.2634 1 0 5 75.60 1.04 1.2578 1 -2 5 78.36 1.68 1.2203 -5 2 1 78.63 1.95 1.2168 -4 -2 1 79.04 3.16 1.2115 -4 0 5 79.72 1.36 1.2028 1 -6 1 79.74 1.01 1.2027 -2 6 1 80.82 3.90 1.1893 2 -6 1 81.03 3.73 1.1867 -1 6 1 81.63 1.10 1.1794 -5 0 2 81.89 3.55 1.1764 -1 -2 6 82.01 3.67 1.1749 -2 2 6 82.69 2.47 1.1671 -5 0 3 82.91 2.18 1.1645 -3 6 1 82.93 1.28 1.1643 4 0 2 83.10 2.59 1.1623 0 -6 1 83.37 2.15 1.1592 -5 2 4 83.52 2.09 1.1575 -4 -2 4 83.72 1.34 1.1553 -2 -2 6 83.77 1.34 1.1546 -3 2 6 84.05 1.17 1.1515 -2 4 5 84.63 3.06 1.1451 -1 -4 5 84.66 1.31 1.1448 -3 -4 2 84.74 3.22 1.1440 -3 4 5 84.79 1.18 1.1434 -5 4 1 85.20 2.95 1.1390 4 -4 2 85.37 1.11 1.1371 -3 6 2 85.74 2.86 1.1331 2 4 2 86.34 1.34 1.1268 3 -6 1 86.75 1.39 1.1225 0 6 1 87.43 2.37 1.1155 1 -4 5 87.80 2.71 1.1118 -1 4 5 87.86 1.68 1.1112 2 0 5 88.07 1.65 1.1090 -5 4 0 88.60 1.94 1.1038 3 4 0 88.98 1.55 1.1001 5 -2 1 89.31 1.65 1.0969 4 2 1 89.43 1.92 1.0957 4 -2 3 89.56 1.48 1.0944 1 -6 3 89.78 1.90 1.0924 3 2 3 89.79 1.06 1.0922 -2 6 3 89.84 1.08 1.0918 -4 4 5 89.87 1.07 1.0915 -2 -4 5 89.95 2.55 1.0908 -4 2 6 89.96 2.64 1.0907 -3 -2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.