Kombatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070720 Cooper M A, Hawthorne F C American Mineralogist 79 (1994) 550-554 The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral sheet mineral CELL PARAMETERS: 12.6920 22.5360 11.2700 90.000 118.552 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Pb 0.11360 0.08410 0.18070 1.000 0.891 Pb 0.37060 0.08760 0.07610 1.000 1.071 Pb 0.12710 0.42190 0.45470 1.000 0.984 Pb 0.37800 0.41740 0.30740 1.000 0.937 Pb 0.35410 0.19480 0.30010 1.000 1.008 Pb 0.12130 0.19880 0.42110 1.000 1.054 Pb 0.39980 0.30340 0.06170 1.000 0.916 V 0.13600 0.32140 0.17650 1.000 0.711 Cl 0.37200 0.49570 0.06000 1.000 1.611 Cl 0.37390 0.01340 0.29820 1.000 1.255 O 0.23800 0.14600 0.11400 1.000 1.176 O 0.25300 0.13500 0.38100 1.000 1.555 O 0.47600 0.35800 0.48700 1.000 0.253 O 0.01000 0.35100 0.04500 1.000 1.627 O 0.25100 0.34000 0.14300 1.000 0.987 O 0.00000 0.14500 0.25000 1.000 0.940 O 0.50000 0.14500 0.25000 1.000 1.145 O 0.50000 0.36800 0.25000 1.000 1.484 O 0.17200 0.35200 0.32800 1.000 2.100 O 0.10400 0.24900 0.17200 1.000 5.140 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 20 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 197.3377951 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.85 3.40 11.2680 0 2 0 8.85 3.11 9.9926 1 1 0 9.51 1.46 9.3018 -1 1 1 11.90 7.83 7.4370 0 2 1 14.22 4.46 6.2297 1 3 0 15.06 2.78 5.8843 1 1 1 15.73 11.02 5.6340 0 4 0 16.09 1.14 5.5098 -2 2 1 18.12 2.99 4.8965 0 4 1 21.26 2.19 4.1786 1 5 0 22.36 17.88 3.9769 -3 1 2 23.22 16.02 3.8305 1 1 2 23.69 6.04 3.7560 0 6 0 25.03 18.17 3.5583 -3 3 2 25.36 1.62 3.5117 0 6 1 25.81 18.01 3.4522 1 3 2 26.48 2.38 3.3659 -3 1 3 27.63 1.64 3.2283 -2 6 1 28.79 3.79 3.1006 -3 3 3 28.87 1.55 3.0930 1 7 0 29.30 1.14 3.0479 2 0 2 29.37 2.18 3.0410 -4 2 2 29.70 100.00 3.0085 -3 5 2 29.71 1.03 3.0073 3 1 1 29.93 1.14 2.9858 -4 2 1 30.37 97.23 2.9436 1 5 2 30.38 2.38 2.9422 2 2 2 31.42 1.09 2.8474 0 4 3 31.77 16.54 2.8170 0 8 0 31.78 42.38 2.8154 -2 0 4 32.11 41.38 2.7871 4 0 0 33.01 1.07 2.7137 -4 4 1 33.97 1.04 2.6390 1 3 3 35.66 3.84 2.5178 -3 7 2 36.23 3.39 2.4794 1 7 2 37.65 1.44 2.3893 -4 6 1 38.49 2.70 2.3390 -3 7 3 40.01 10.26 2.2536 0 10 0 40.02 6.02 2.2528 -2 6 4 40.29 6.58 2.2382 4 6 0 41.23 2.71 2.1897 -2 2 5 42.28 1.42 2.1375 5 3 0 44.87 17.66 2.0201 -6 0 4 45.55 14.03 1.9914 -2 8 4 45.80 12.89 1.9813 4 8 0 46.74 16.83 1.9435 2 0 4 47.37 1.03 1.9190 -2 6 5 47.83 1.01 1.9016 -6 4 4 48.47 1.54 1.8780 0 12 0 49.31 2.14 1.8481 -6 2 5 49.74 1.31 1.8330 5 7 0 50.89 1.68 1.7942 -5 1 6 51.34 2.15 1.7796 -7 1 2 51.36 1.92 1.7791 -6 6 4 51.98 12.08 1.7594 -2 10 4 52.18 1.58 1.7530 -1 1 6 52.20 11.03 1.7524 4 10 0 52.26 1.85 1.7504 -5 3 6 52.62 2.11 1.7393 5 1 2 52.70 1.37 1.7368 -7 3 2 53.05 1.63 1.7261 2 6 4 53.52 1.91 1.7121 -1 3 6 53.96 1.30 1.6993 5 3 2 54.93 13.17 1.6716 -5 5 6 55.35 12.25 1.6597 -7 5 2 56.02 4.78 1.6416 -6 8 4 56.15 13.40 1.6381 -1 5 6 56.57 12.37 1.6269 5 5 2 57.62 5.15 1.5997 2 8 4 57.88 10.43 1.5931 -3 13 2 58.28 10.67 1.5832 1 13 2 59.13 1.51 1.5623 -2 12 4 59.18 1.21 1.5612 -7 7 2 59.34 1.80 1.5574 4 12 0 59.61 1.28 1.5509 -5 3 7 61.66 4.15 1.5042 -6 10 4 63.17 4.59 1.4718 2 10 4 66.38 1.41 1.4082 -3 15 2 66.41 4.29 1.4077 -4 0 8 66.75 1.44 1.4014 1 15 2 67.17 3.81 1.3936 8 0 0 68.18 1.03 1.3755 -6 12 4 73.37 3.64 1.2904 -9 5 6 74.30 1.93 1.2765 -8 0 8 74.85 1.82 1.2686 -10 0 4 75.50 1.73 1.2592 -4 8 8 76.01 2.77 1.2520 0 18 0 76.22 1.35 1.2491 8 8 0 76.26 3.50 1.2486 -5 13 6 76.50 4.15 1.2452 3 5 6 76.62 3.18 1.2436 -7 13 2 77.07 2.24 1.2374 0 0 8 77.29 3.69 1.2345 -1 13 6 77.61 2.04 1.2302 6 0 4 77.65 3.41 1.2297 5 13 2 80.44 1.73 1.1939 -4 10 8 81.15 1.34 1.1853 8 10 0 83.06 1.13 1.1627 -8 8 8 84.74 3.29 1.1440 -2 18 4 84.91 3.18 1.1421 4 18 0 85.76 1.38 1.1329 0 8 8 86.29 1.13 1.1274 6 8 4 87.91 1.25 1.1107 -8 10 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.