Raspite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050567 Fujita T, Kawada I, Kato K Acta Crystallographica B33 (1977) 162-164 Raspite from Broken Hill Locality: Broken Hill NSW, Australia _database_code_amcsd 0009580 CELL PARAMETERS: 13.5780 4.9779 5.5660 90.000 107.661 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Pb 0.14961 0.19405 0.16670 1.000 0.974 W 0.07708 0.74944 0.61185 1.000 0.551 O 0.01630 0.05150 0.72900 1.000 0.680 O 0.05950 0.43460 0.38820 1.000 0.950 O 0.15100 0.61480 0.90000 1.000 1.420 O 0.19030 0.88290 0.53860 1.000 1.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 4 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 230.6193329 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.69 6.72 6.4690 2 0 0 16.72 4.93 5.3037 0 0 1 18.13 3.47 4.8934 -2 0 1 19.10 3.28 4.6459 1 1 0 24.05 5.39 3.7002 -1 1 1 24.53 100.00 3.6296 0 1 1 24.73 17.62 3.6007 2 0 1 25.53 38.50 3.4897 -2 1 1 27.36 2.83 3.2595 3 1 0 27.58 22.26 3.2345 4 0 0 27.60 26.26 3.2315 -4 0 1 30.64 30.03 2.9175 2 1 1 32.37 29.01 2.7658 -2 0 2 33.03 35.53 2.7122 4 1 0 33.05 34.39 2.7104 -4 1 1 33.80 1.07 2.6518 0 0 2 36.09 20.64 2.4890 0 2 0 36.67 4.81 2.4507 4 0 1 36.73 2.48 2.4467 -4 0 2 36.77 4.10 2.4441 1 2 0 38.30 3.58 2.3502 -5 1 1 40.08 1.37 2.2498 -6 0 1 40.49 11.67 2.2279 2 0 2 40.67 1.46 2.2185 -2 2 1 40.98 3.15 2.2021 1 1 2 41.05 4.13 2.1987 4 1 1 41.11 3.68 2.1958 -4 1 2 41.56 4.44 2.1729 1 2 1 42.82 4.99 2.1119 -3 2 1 44.24 3.65 2.0474 2 2 1 44.56 18.33 2.0335 2 1 2 45.45 3.16 1.9954 -6 0 2 45.86 4.91 1.9787 6 1 0 46.01 8.63 1.9725 4 2 0 46.03 8.48 1.9719 -4 2 1 47.90 1.51 1.8991 3 2 1 49.19 13.09 1.8521 -6 1 2 49.23 2.96 1.8509 -1 2 2 49.25 19.43 1.8501 -2 2 2 50.28 10.21 1.8147 6 0 1 50.91 3.19 1.7938 5 2 0 52.40 4.79 1.7463 4 2 1 52.44 3.81 1.7448 -4 2 2 52.67 16.10 1.7377 -2 1 3 54.03 9.89 1.6972 -8 0 1 55.13 4.04 1.6659 0 1 3 55.34 6.50 1.6600 2 2 2 55.86 1.07 1.6458 1 3 0 56.41 4.52 1.6311 -6 0 3 58.03 2.96 1.5893 -1 3 1 58.11 3.79 1.5873 2 0 3 58.26 4.08 1.5836 0 3 1 58.76 1.44 1.5714 -2 3 1 59.36 1.26 1.5568 -6 2 2 59.65 5.52 1.5500 -6 1 3 59.71 2.71 1.5486 3 3 0 60.16 8.18 1.5381 8 1 0 60.22 6.82 1.5368 -8 1 2 61.30 2.12 1.5123 2 1 3 61.54 4.22 1.5070 2 3 1 62.96 5.46 1.4764 4 3 0 62.97 3.77 1.4761 -4 3 1 63.44 7.05 1.4663 6 2 1 64.00 1.15 1.4547 -7 2 2 64.50 1.16 1.4448 3 3 1 66.34 8.61 1.4090 6 1 2 66.36 1.56 1.4087 -5 3 1 66.52 1.05 1.4056 -3 3 2 66.70 7.43 1.4023 -8 2 1 67.67 2.05 1.3846 4 0 3 67.69 1.09 1.3841 -2 0 4 67.76 2.90 1.3829 -4 0 4 68.21 1.73 1.3748 1 3 2 68.82 4.08 1.3643 -6 2 3 70.35 2.96 1.3383 2 2 3 70.80 1.94 1.3308 2 3 2 70.92 1.19 1.3288 -5 3 2 71.10 2.09 1.3259 0 0 4 71.31 1.37 1.3226 -6 0 4 73.55 2.30 1.2877 -10 1 2 73.98 2.43 1.2812 0 1 4 74.18 1.19 1.2783 -6 1 4 74.35 1.97 1.2758 -6 3 2 76.00 1.69 1.2522 10 1 0 76.97 1.08 1.2388 1 4 0 77.00 2.92 1.2384 -10 0 3 77.14 2.98 1.2365 -2 3 3 77.37 1.18 1.2334 -3 3 3 79.16 2.35 1.2099 4 2 3 79.25 2.51 1.2088 -4 2 4 79.93 1.03 1.2002 6 0 3 80.06 1.29 1.1986 1 4 1 80.92 1.04 1.1881 -3 4 1 80.92 1.45 1.1880 -8 1 4 81.80 1.03 1.1774 10 0 1 82.41 2.24 1.1702 0 2 4 82.61 1.38 1.1680 -6 2 4 83.02 1.30 1.1632 -6 3 3 83.46 1.57 1.1582 8 3 0 84.57 2.78 1.1458 10 1 1 85.58 1.43 1.1349 -2 4 2 86.85 1.03 1.1215 5 4 0 88.11 3.03 1.1087 -10 2 3 89.00 2.05 1.0999 6 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.