Pyrobelonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080057 Kolitsch U Acta Crystallographica E57 (2001) i119-i121 Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group Locality: synthetic CELL PARAMETERS: 7.6530 6.1830 9.5170 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Pb 0.13286 0.25000 0.17753 1.000 0.857 Mn 0.00000 0.00000 0.50000 1.000 0.513 V 0.36513 0.75000 0.31118 1.000 0.333 O 0.18820 0.75000 0.42740 1.000 0.647 O 0.54070 0.75000 0.41330 1.000 1.405 O 0.37280 0.51280 0.20990 1.000 0.813 Oh 0.15650 0.25000 0.42440 1.000 0.568 H 0.24300 0.25000 0.46500 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 82.31440068 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.10 70.48 5.1849 0 1 1 18.65 21.51 4.7585 0 0 2 20.69 36.50 4.2925 1 1 1 22.00 17.89 4.0410 1 0 2 25.08 26.54 3.5503 2 0 1 26.35 15.49 3.3826 1 1 2 27.41 100.00 3.2538 2 1 0 28.88 32.42 3.0915 0 2 0 29.97 5.92 2.9820 2 0 2 30.50 52.14 2.9305 1 0 3 31.70 1.25 2.8225 0 1 3 32.63 36.25 2.7447 1 2 1 33.36 50.87 2.6859 2 1 2 33.85 59.05 2.6481 1 1 3 34.60 21.77 2.5924 0 2 2 36.46 7.31 2.4640 3 0 1 36.60 5.43 2.4554 1 2 2 37.40 5.19 2.4047 2 2 0 38.62 41.25 2.3315 2 2 1 39.36 2.61 2.2890 3 1 1 39.67 13.40 2.2720 1 0 4 40.11 5.45 2.2483 3 0 2 42.10 1.96 2.1462 2 2 2 42.38 12.61 2.1326 1 1 4 42.50 15.09 2.1268 1 2 3 42.80 11.12 2.1129 3 1 2 44.86 1.27 2.0205 2 0 4 45.00 7.43 2.0143 0 3 1 45.63 6.63 1.9880 3 0 3 46.63 4.43 1.9480 1 3 1 47.33 1.39 1.9206 2 1 4 47.52 8.44 1.9132 4 0 0 48.08 13.32 1.8926 3 1 3 48.27 5.83 1.8855 0 2 4 49.34 1.01 1.8471 1 0 5 49.66 2.80 1.8360 1 3 2 49.81 7.65 1.8308 1 2 4 49.89 1.04 1.8277 4 1 0 50.15 4.21 1.8192 0 1 5 50.17 3.49 1.8183 3 2 2 50.28 16.44 1.8145 2 3 0 50.87 10.88 1.7949 4 1 1 51.48 14.33 1.7751 4 0 2 51.65 11.76 1.7698 1 1 5 52.60 2.20 1.7399 3 0 4 53.79 2.48 1.7042 2 0 5 54.09 10.71 1.6955 2 3 2 54.23 1.18 1.6913 2 2 4 54.43 14.86 1.6858 1 3 3 54.81 5.49 1.6749 3 1 4 54.91 30.75 1.6721 3 2 3 56.57 14.77 1.6269 4 2 0 58.16 4.84 1.5862 0 0 6 58.18 14.50 1.5857 1 2 5 59.83 10.99 1.5458 0 4 0 60.10 1.98 1.5394 4 2 2 60.67 3.67 1.5265 1 3 4 60.71 7.59 1.5255 3 0 5 60.99 3.43 1.5193 3 3 2 61.12 1.32 1.5163 3 2 4 61.35 1.91 1.5112 5 0 1 62.20 2.31 1.4925 2 2 5 62.27 1.08 1.4910 4 0 4 62.73 4.61 1.4811 3 1 5 63.25 1.52 1.4701 0 4 2 63.36 2.45 1.4680 5 1 1 63.89 1.16 1.4571 5 0 2 64.55 1.91 1.4437 1 4 2 65.20 5.22 1.4308 3 3 3 65.46 11.65 1.4258 2 1 6 65.91 3.87 1.4172 2 4 1 66.22 2.06 1.4113 0 2 6 66.92 1.59 1.3983 0 3 5 67.52 4.87 1.3872 4 3 1 68.17 5.03 1.3755 1 3 5 68.60 4.59 1.3680 3 2 5 68.65 8.78 1.3672 1 4 3 69.91 8.56 1.3455 5 1 3 70.88 2.28 1.3295 3 3 4 70.98 2.57 1.3278 0 1 7 71.57 2.06 1.3183 4 1 5 71.59 1.12 1.3180 5 2 2 72.14 2.02 1.3094 3 4 1 73.58 2.27 1.2872 5 0 4 73.99 1.85 1.2811 2 0 7 74.20 3.27 1.2780 1 4 4 74.49 1.38 1.2738 3 4 2 75.43 1.15 1.2602 5 1 4 75.51 4.97 1.2590 5 2 3 76.21 5.14 1.2492 6 1 0 77.90 1.12 1.2263 0 5 1 77.91 2.40 1.2262 3 3 5 78.30 1.73 1.2211 4 0 6 78.36 2.58 1.2203 3 4 3 78.48 1.25 1.2187 5 3 1 79.29 2.60 1.2083 6 1 2 79.76 3.06 1.2024 4 4 0 80.41 6.10 1.1942 2 3 6 80.53 1.08 1.1928 5 0 5 80.79 1.33 1.1896 0 0 8 80.89 2.33 1.1883 5 2 4 81.29 3.16 1.1835 2 2 7 81.86 3.93 1.1767 2 5 0 82.33 3.34 1.1712 5 1 5 82.42 2.63 1.1701 6 2 1 82.80 5.74 1.1657 4 4 2 83.69 1.03 1.1556 3 4 4 84.57 5.01 1.1458 5 3 3 84.65 1.27 1.1449 2 4 5 84.89 3.00 1.1423 2 5 2 85.16 3.33 1.1393 1 5 3 85.50 7.42 1.1357 4 2 6 85.58 1.51 1.1349 0 3 7 86.14 1.18 1.1289 4 3 5 87.26 5.15 1.1173 2 1 8 87.95 4.15 1.1103 0 2 8 88.28 2.81 1.1070 0 4 6 89.93 2.29 1.0909 4 1 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.