Pyrobelonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100056 Kolitsch U Acta Crystallographica E57 (2001) i119-i121 Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group Locality: synthetic _database_code_amcsd 0010371 CELL PARAMETERS: 7.6590 6.1899 9.5210 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: 82.12195104 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.09 70.46 5.1896 0 1 1 18.64 21.49 4.7605 0 0 2 20.67 36.50 4.2962 1 1 1 21.98 17.87 4.0431 1 0 2 25.06 26.53 3.5529 2 0 1 26.33 15.48 3.3850 1 1 2 27.39 100.00 3.2566 2 1 0 28.85 32.45 3.0949 0 2 0 29.95 5.92 2.9839 2 0 2 30.49 52.09 2.9319 1 0 3 31.68 1.25 2.8241 0 1 3 32.59 36.28 2.7475 1 2 1 33.33 50.86 2.6879 2 1 2 33.83 59.01 2.6497 1 1 3 34.57 21.77 2.5948 0 2 2 36.44 7.31 2.4659 3 0 1 36.56 5.43 2.4576 1 2 2 37.36 5.20 2.4071 2 2 0 38.58 41.28 2.3337 2 2 1 39.33 2.61 2.2908 3 1 1 39.65 13.39 2.2730 1 0 4 40.08 5.45 2.2499 3 0 2 42.06 1.96 2.1481 2 2 2 42.36 12.60 2.1337 1 1 4 42.47 15.09 2.1285 1 2 3 42.76 11.12 2.1145 3 1 2 44.83 1.27 2.0216 2 0 4 44.95 7.44 2.0165 0 3 1 45.60 6.63 1.9892 3 0 3 46.57 4.44 1.9500 1 3 1 47.30 1.39 1.9217 2 1 4 47.48 8.44 1.9147 4 0 0 48.04 13.32 1.8939 3 1 3 48.23 5.83 1.8868 0 2 4 49.31 1.01 1.8479 1 0 5 49.60 2.81 1.8378 1 3 2 49.77 7.65 1.8320 1 2 4 49.85 1.04 1.8292 4 1 0 50.12 4.21 1.8200 0 1 5 50.13 3.49 1.8198 3 2 2 50.23 16.46 1.8164 2 3 0 50.83 10.89 1.7964 4 1 1 51.44 14.34 1.7764 4 0 2 51.62 11.75 1.7707 1 1 5 52.57 2.20 1.7410 3 0 4 53.76 2.48 1.7050 2 0 5 54.03 10.72 1.6971 2 3 2 54.19 1.18 1.6925 2 2 4 54.37 14.87 1.6874 1 3 3 54.77 5.49 1.6759 3 1 4 54.86 30.77 1.6734 3 2 3 56.52 14.79 1.6283 4 2 0 58.13 4.84 1.5868 0 0 6 58.14 14.50 1.5866 1 2 5 59.76 11.01 1.5475 0 4 0 60.05 1.98 1.5407 4 2 2 60.61 3.67 1.5277 1 3 4 60.67 7.58 1.5264 3 0 5 60.92 3.44 1.5207 3 3 2 61.07 1.32 1.5174 3 2 4 61.29 1.92 1.5124 5 0 1 62.16 2.31 1.4934 2 2 5 62.23 1.08 1.4919 4 0 4 62.69 4.61 1.4820 3 1 5 63.18 1.52 1.4717 0 4 2 63.30 2.45 1.4691 5 1 1 63.83 1.16 1.4582 5 0 2 64.47 1.92 1.4452 1 4 2 65.14 5.23 1.4321 3 3 3 65.43 11.65 1.4265 2 1 6 65.83 3.87 1.4187 2 4 1 66.18 2.06 1.4121 0 2 6 66.86 1.59 1.3993 0 3 5 67.45 4.88 1.3885 4 3 1 68.12 5.04 1.3766 1 3 5 68.55 4.59 1.3689 3 2 5 68.57 8.80 1.3685 1 4 3 69.86 8.56 1.3465 5 1 3 70.81 2.28 1.3306 3 3 4 70.95 2.57 1.3284 0 1 7 71.52 2.06 1.3192 4 1 5 71.53 1.12 1.3191 5 2 2 72.05 2.03 1.3108 3 4 1 73.52 2.27 1.2881 5 0 4 73.95 1.85 1.2817 2 0 7 74.12 3.28 1.2792 1 4 4 74.41 1.38 1.2750 3 4 2 75.37 1.15 1.2611 5 1 4 75.44 4.97 1.2600 5 2 3 76.14 5.14 1.2502 6 1 0 77.80 1.12 1.2276 0 5 1 77.84 2.41 1.2271 3 3 5 78.24 1.73 1.2218 4 0 6 78.27 2.58 1.2214 3 4 3 78.40 1.25 1.2198 5 3 1 79.22 2.60 1.2092 6 1 2 79.66 3.07 1.2036 4 4 0 80.35 6.10 1.1950 2 3 6 80.47 1.08 1.1935 5 0 5 80.75 1.33 1.1901 0 0 8 80.82 2.33 1.1892 5 2 4 81.24 3.16 1.1842 2 2 7 81.76 3.94 1.1780 2 5 0 82.26 3.34 1.1720 5 1 5 82.34 2.63 1.1711 6 2 1 82.70 5.74 1.1668 4 4 2 83.60 1.03 1.1566 3 4 4 84.48 5.01 1.1468 5 3 3 84.56 1.27 1.1459 2 4 5 84.78 3.01 1.1435 2 5 2 85.06 3.33 1.1405 1 5 3 85.43 7.42 1.1364 4 2 6 85.51 1.51 1.1356 0 3 7 86.06 1.18 1.1298 4 3 5 87.21 5.14 1.1178 2 1 8 87.90 4.15 1.1108 0 2 8 88.19 2.81 1.1079 0 4 6 89.87 2.28 1.0915 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.