Kurnakovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050105 Corazza E Acta Crystallographica B30 (1974) 2194-2199 The crystal structure of kurnakovite: a refinement Locality: California, USA CELL PARAMETERS: 8.3380 10.6058 6.4396 98.920 108.910 105.544 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mg 0.65300 0.23210 0.80150 1.000 0.700 B 0.76900 0.22740 0.35090 1.000 0.760 B 0.11050 0.35290 0.50080 1.000 0.730 B 0.98260 0.10530 0.31160 1.000 0.750 O 0.92150 0.32120 0.91910 1.000 1.780 O 0.59430 0.40910 0.77610 1.000 1.520 O 0.38330 0.13490 0.66850 1.000 1.330 O 0.66970 0.03510 0.80770 1.000 1.130 O 0.65060 0.19260 0.47370 1.000 1.000 O 0.67130 0.26320 0.14150 1.000 1.240 O 0.80960 0.10300 0.26750 1.000 0.890 O 0.93340 0.33390 0.50570 1.000 0.900 O 0.14960 0.44020 0.35460 1.000 1.180 O 0.24960 0.40930 0.73480 1.000 1.630 O 0.12840 0.22140 0.41300 1.000 1.030 O 0.01600 0.98860 0.24860 1.000 1.380 O 0.28690 0.24340 0.05220 1.000 1.990 H 0.99400 0.35900 0.06000 1.000 1.100 H 0.96400 0.33500 0.81000 1.000 1.800 H 0.66800 0.47300 0.73600 1.000 1.000 H 0.49100 0.42000 0.74500 1.000 1.100 H 0.31400 0.17400 0.59700 1.000 2.300 H 0.32800 0.05800 0.69500 1.000 1.300 H 0.75200 0.02700 0.76000 1.000 1.200 H 0.70200 0.03900 0.94200 1.000 1.600 H 0.56200 0.13700 0.39900 1.000 1.100 H 0.59000 0.26600 0.14500 1.000 1.800 H 0.12800 0.49800 0.40600 1.000 2.800 H 0.26100 0.48300 0.79600 1.000 1.800 H 0.93700 0.92600 0.18600 1.000 2.100 H 0.26300 0.25700 0.15900 1.000 2.500 H 0.26900 0.29800 0.97300 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 1.525111835 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.98 18.64 9.8514 0 1 0 11.93 33.99 7.4166 1 0 0 12.25 100.00 7.2238 -1 1 0 15.08 33.17 5.8736 0 0 1 15.23 27.39 5.8194 -1 0 1 15.38 1.10 5.7623 0 -1 1 17.24 16.30 5.1432 1 1 0 17.67 26.80 5.0197 -1 1 1 17.73 54.53 5.0013 -1 -1 1 17.91 3.16 4.9535 -1 2 0 18.01 69.64 4.9257 0 2 0 19.54 3.52 4.5424 0 1 1 20.22 12.20 4.3914 0 -2 1 21.14 44.14 4.2028 1 -1 1 22.56 28.12 3.9411 -2 1 0 22.64 21.72 3.9283 1 0 1 22.92 7.94 3.8799 -2 0 1 23.07 7.77 3.8557 -2 1 1 23.37 16.22 3.8061 1 -2 1 23.71 2.99 3.7519 -1 -2 1 24.00 20.34 3.7083 2 0 0 24.65 2.08 3.6119 -2 2 0 24.87 27.84 3.5797 1 2 0 25.66 68.55 3.4720 -1 3 0 26.16 2.87 3.4060 -2 -1 1 26.52 11.61 3.3605 0 2 1 26.55 2.25 3.3575 -2 2 1 27.16 1.52 3.2838 0 3 0 28.05 37.84 3.1806 -1 0 2 28.24 45.61 3.1603 -1 -1 2 28.46 12.43 3.1363 2 1 0 28.51 2.74 3.1303 1 -3 1 29.34 31.13 3.0443 0 -1 2 29.56 2.24 3.0216 -2 3 0 30.44 22.53 2.9368 0 0 2 30.73 9.06 2.9097 -2 0 2 30.74 14.55 2.9089 -1 1 2 30.91 4.23 2.8932 2 -1 1 31.04 33.03 2.8812 0 -2 2 31.22 14.51 2.8651 -1 3 1 31.24 31.55 2.8628 -1 -2 2 31.32 5.73 2.8564 2 -2 1 31.33 19.36 2.8548 -1 -3 1 32.04 8.72 2.7937 -2 1 2 32.11 6.59 2.7873 -2 -1 2 32.37 3.61 2.7654 -2 3 1 32.43 12.90 2.7607 -3 1 1 33.39 4.11 2.6834 1 3 0 33.49 43.01 2.6756 -3 0 1 33.90 3.15 2.6444 1 2 1 33.94 1.56 2.6414 -3 2 1 34.23 14.55 2.6193 -1 4 0 34.26 1.14 2.6175 -3 1 0 34.30 3.04 2.6147 2 -3 1 34.61 4.36 2.5914 -3 2 0 34.65 22.16 2.5885 0 3 1 34.89 8.56 2.5716 2 2 0 34.99 28.87 2.5646 1 -1 2 35.42 49.27 2.5344 1 -4 1 35.59 9.39 2.5225 0 -4 1 35.70 1.19 2.5148 -1 2 2 35.78 3.12 2.5099 -2 2 2 35.91 10.60 2.5006 -2 -2 2 36.27 45.79 2.4768 -2 4 0 36.34 27.13 2.4722 3 0 0 36.44 7.61 2.4655 -1 -3 2 36.48 3.52 2.4629 0 4 0 36.93 10.24 2.4341 -3 -1 1 37.34 1.69 2.4079 -3 3 0 37.49 2.35 2.3991 -3 0 2 37.56 12.21 2.3944 -3 1 2 37.64 5.31 2.3898 2 1 1 37.75 18.73 2.3832 -3 3 1 39.01 1.29 2.3090 -2 -3 1 39.64 1.00 2.2738 -2 4 1 39.68 11.73 2.2715 -1 4 1 39.68 17.26 2.2712 0 2 2 39.88 2.28 2.2603 -3 2 2 40.53 18.29 2.2256 3 1 0 41.10 11.71 2.1960 1 1 2 41.37 6.92 2.1823 -2 3 2 41.55 4.66 2.1732 -2 -3 2 41.63 3.87 2.1695 3 -2 1 41.69 4.68 2.1666 1 3 1 42.05 6.13 2.1485 -3 4 0 42.22 23.46 2.1405 -1 -1 3 42.24 2.52 2.1394 -3 -2 1 42.26 5.35 2.1384 3 -1 1 42.43 1.36 2.1304 1 4 0 42.54 11.02 2.1254 2 3 0 43.01 4.74 2.1028 -1 0 3 43.04 7.37 2.1014 2 -2 2 43.16 4.62 2.0961 -1 -4 2 43.18 13.61 2.0953 -2 0 3 43.31 4.36 2.0889 -1 5 0 43.32 5.43 2.0888 -2 -1 3 43.34 3.43 2.0879 -3 4 1 43.39 3.06 2.0855 1 -5 1 43.45 3.12 2.0827 0 4 1 43.55 1.32 2.0783 -4 1 1 43.65 2.96 2.0738 2 -1 2 43.82 6.45 2.0659 -4 2 1 44.10 9.29 2.0536 -2 5 0 44.73 7.03 2.0258 0 -1 3 45.06 1.00 2.0119 0 -2 3 45.28 9.18 2.0028 -4 0 1 45.46 2.88 1.9951 -2 -2 3 45.79 13.22 1.9817 -1 1 3 45.87 1.50 1.9783 2 -5 1 46.02 2.44 1.9722 -4 1 2 46.06 7.13 1.9706 -4 2 0 46.07 3.84 1.9703 0 5 0 46.22 9.31 1.9641 2 0 2 46.37 15.40 1.9583 3 2 0 46.38 1.83 1.9579 0 0 3 46.47 5.85 1.9543 3 -4 1 46.66 1.76 1.9466 -4 1 0 46.83 12.38 1.9398 -3 0 3 46.85 2.63 1.9391 1 2 2 47.15 5.83 1.9275 -2 -4 1 47.33 7.15 1.9208 0 -3 3 47.39 5.91 1.9182 -4 3 0 47.79 2.47 1.9030 2 -4 2 48.28 1.28 1.8851 -3 5 0 48.31 1.72 1.8838 -2 4 2 48.31 4.85 1.8838 0 -5 2 48.53 2.46 1.8760 -2 -4 2 48.76 11.35 1.8674 -2 2 3 48.85 4.73 1.8643 -4 -1 1 48.86 4.96 1.8638 -1 -5 1 48.94 1.74 1.8613 1 -5 2 49.14 4.63 1.8542 4 0 0 49.32 11.34 1.8476 3 1 1 49.50 1.09 1.8413 -4 -1 2 49.54 3.00 1.8402 -3 -3 2 49.84 3.59 1.8297 0 1 3 49.97 10.38 1.8253 -3 4 2 50.25 4.67 1.8156 -3 5 1 50.28 1.03 1.8148 1 4 1 50.44 2.61 1.8094 1 -1 3 50.95 1.47 1.7923 -1 -5 2 51.03 1.23 1.7899 2 4 0 51.20 1.51 1.7841 1 -3 3 51.33 13.19 1.7799 0 -4 3 51.49 8.08 1.7749 3 -5 1 52.73 20.91 1.7360 -2 6 0 52.91 2.67 1.7304 3 -2 2 53.30 3.05 1.7189 4 1 0 53.48 2.03 1.7134 -4 1 3 53.75 1.62 1.7055 4 -3 1 53.83 2.56 1.7030 -4 -2 2 53.84 5.99 1.7028 0 -6 1 53.86 1.82 1.7022 1 3 2 54.67 1.62 1.6787 -4 4 2 54.87 2.52 1.6733 0 2 3 55.12 8.66 1.6663 -4 -1 3 55.52 3.39 1.6552 3 -4 2 55.78 1.52 1.6481 -5 1 1 56.01 1.94 1.6419 0 6 0 56.28 9.63 1.6346 -2 5 2 56.29 1.57 1.6344 1 -6 2 56.29 2.70 1.6343 2 2 2 56.43 4.06 1.6306 -5 1 2 56.51 2.04 1.6285 -3 -4 2 56.72 1.63 1.6228 -3 -4 1 56.82 1.83 1.6204 0 -5 3 57.01 1.06 1.6153 -3 5 2 57.85 1.60 1.5938 2 -3 3 57.89 2.20 1.5930 -5 0 2 57.98 2.49 1.5905 -5 0 1 57.99 1.37 1.5903 -2 0 4 58.19 2.25 1.5853 -1 -2 4 58.19 1.81 1.5853 -3 6 1 58.43 4.85 1.5795 -4 -2 3 58.49 1.84 1.5780 -1 5 2 58.56 4.25 1.5762 -5 2 0 58.65 2.70 1.5741 2 -1 3 58.79 5.51 1.5707 1 -5 3 58.95 2.82 1.5667 -5 3 0 59.19 2.96 1.5609 -5 4 1 59.54 1.45 1.5525 1 5 1 59.74 1.61 1.5480 -3 -1 4 59.81 1.40 1.5464 -5 1 0 60.11 5.60 1.5393 -1 -3 4 60.23 7.02 1.5366 2 5 0 60.64 2.60 1.5270 -3 4 3 60.96 2.77 1.5198 -5 4 0 61.04 2.27 1.5180 -2 -3 4 61.11 3.17 1.5166 -3 1 4 61.47 4.23 1.5085 2 0 3 61.54 2.25 1.5070 3 4 0 61.90 2.90 1.4990 1 6 0 62.06 1.50 1.4954 2 -7 1 62.06 3.09 1.4954 4 1 1 62.34 2.89 1.4894 -5 0 3 63.21 4.08 1.4710 -4 -3 3 63.27 1.10 1.4698 2 3 2 63.34 1.09 1.4684 0 0 4 63.52 1.58 1.4646 2 -5 3 64.10 2.02 1.4528 4 -3 2 64.50 1.22 1.4448 -5 5 0 64.52 1.70 1.4443 -3 -5 2 65.09 3.49 1.4330 -3 6 2 65.16 1.81 1.4317 -1 -6 3 65.50 2.56 1.4251 0 -7 2 65.63 2.51 1.4225 -2 -6 1 65.76 6.18 1.4201 2 1 3 67.07 1.86 1.3955 3 -2 3 67.63 3.46 1.3852 -3 5 3 68.00 1.54 1.3786 3 -4 3 68.09 1.16 1.3770 4 -5 2 68.44 2.29 1.3708 -1 -5 4 68.86 3.07 1.3635 0 -5 4 68.87 1.06 1.3633 3 -1 3 69.13 1.76 1.3587 -5 6 1 69.66 1.44 1.3498 -4 5 3 69.77 2.39 1.3479 5 -5 1 70.85 1.17 1.3300 1 5 2 70.87 1.02 1.3298 -5 0 4 70.89 1.08 1.3293 -5 1 4 70.91 1.48 1.3291 3 -7 2 72.07 1.06 1.3105 -6 2 3 73.02 2.12 1.2957 -6 4 0 73.12 3.07 1.2943 0 6 2 73.18 1.20 1.2933 -6 0 3 73.72 1.17 1.2852 -6 3 3 73.89 1.18 1.2826 3 -8 1 73.96 1.38 1.2816 1 1 4 74.83 1.10 1.2688 2 -7 3 74.99 2.36 1.2666 -3 -6 1 75.35 1.80 1.2614 -6 5 2 75.43 2.64 1.2602 -3 -5 4 76.11 1.70 1.2506 -3 -6 3 76.45 1.91 1.2459 1 4 3 76.80 3.61 1.2412 -6 4 3 77.28 2.41 1.2346 0 5 3 77.45 1.08 1.2323 -2 1 5 78.04 1.61 1.2245 -1 7 2 78.12 1.47 1.2235 -6 6 1 78.19 1.48 1.2226 4 -4 3 80.05 1.04 1.1987 -6 -2 3 80.27 1.04 1.1960 1 7 1 80.75 1.26 1.1901 0 -4 5 81.26 3.42 1.1839 -6 5 3 81.76 3.39 1.1779 6 1 0 82.02 2.00 1.1749 -6 -1 4 82.69 1.65 1.1670 -3 -6 4 83.45 1.04 1.1583 3 -4 4 83.55 1.36 1.1572 5 0 2 84.74 1.74 1.1439 -6 -3 2 85.14 1.76 1.1396 -5 -4 4 85.37 1.25 1.1371 3 -5 4 87.91 1.43 1.1107 -6 -3 1 89.54 1.36 1.0946 0 9 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.