Raspite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130514 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: 13.6210 5.0190 5.5860 90.000 107.979 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Pb 0.14961 0.19405 0.16670 1.000 0.982 W 0.07708 0.74944 0.61185 1.000 0.555 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: 227.5146745 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.67 6.66 6.4779 2 0 0 16.69 4.89 5.3132 0 0 1 18.03 3.47 4.9197 -2 0 1 18.96 3.29 4.6801 1 1 0 23.90 5.40 3.7239 -1 1 1 24.40 100.00 3.6486 0 1 1 24.74 17.38 3.5993 2 0 1 25.35 38.66 3.5133 -2 1 1 27.24 2.83 3.2736 3 1 0 27.47 26.24 3.2466 -4 0 1 27.54 22.05 3.2390 4 0 0 30.56 29.84 2.9249 2 1 1 32.23 28.94 2.7773 -2 0 2 32.85 34.48 2.7260 -4 1 1 32.91 35.38 2.7215 4 1 0 33.74 1.06 2.6566 0 0 2 35.78 20.84 2.5095 0 2 0 36.47 4.14 2.4637 1 2 0 36.53 2.48 2.4598 -4 0 2 36.68 4.74 2.4499 4 0 1 38.10 3.59 2.3622 -5 1 1 39.92 1.37 2.2583 -6 0 1 40.35 1.47 2.2355 -2 2 1 40.48 11.52 2.2283 2 0 2 40.85 3.70 2.2088 -4 1 2 40.89 3.14 2.2071 1 1 2 40.99 4.09 2.2016 4 1 1 41.29 4.47 2.1867 1 2 1 42.49 5.04 2.1275 -3 2 1 43.99 3.66 2.0586 2 2 1 44.49 18.17 2.0366 2 1 2 45.21 3.17 2.0058 -6 0 2 45.69 8.55 1.9855 -4 2 1 45.74 8.67 1.9838 4 2 0 45.74 4.88 1.9835 6 1 0 47.67 1.51 1.9078 3 2 1 48.90 13.16 1.8626 -6 1 2 48.92 19.58 1.8620 -2 2 2 48.92 2.98 1.8618 -1 2 2 50.28 10.07 1.8146 6 0 1 50.64 3.21 1.8027 5 2 0 52.06 3.85 1.7567 -4 2 2 52.18 4.79 1.7530 4 2 1 52.45 16.09 1.7447 -2 1 3 53.85 9.87 1.7026 -8 0 1 54.98 4.02 1.6701 0 1 3 55.12 6.50 1.6662 2 2 2 55.37 1.08 1.6592 1 3 0 56.08 4.54 1.6399 -6 0 3 57.53 3.00 1.6019 -1 3 1 57.78 4.13 1.5958 0 3 1 58.08 3.74 1.5882 2 0 3 58.25 1.47 1.5839 -2 3 1 58.95 1.27 1.5668 -6 2 2 59.23 2.74 1.5600 3 3 0 59.28 5.56 1.5588 -6 1 3 59.88 6.85 1.5445 -8 1 2 60.03 8.13 1.5412 8 1 0 61.08 4.27 1.5171 2 3 1 61.21 2.10 1.5142 2 1 3 62.45 3.82 1.4872 -4 3 1 62.48 5.53 1.4864 4 3 0 63.24 7.02 1.4704 6 2 1 63.57 1.16 1.4636 -7 2 2 64.05 1.16 1.4537 3 3 1 65.83 1.58 1.4188 -5 3 1 65.98 1.07 1.4159 -3 3 2 66.32 8.50 1.4093 6 1 2 66.35 7.45 1.4089 -8 2 1 67.44 2.91 1.3886 -4 0 4 67.46 1.09 1.3883 -2 0 4 67.68 2.02 1.3844 4 0 3 67.76 1.74 1.3829 1 3 2 68.33 4.12 1.3728 -6 2 3 70.12 2.95 1.3420 2 2 3 70.34 1.21 1.3384 -5 3 2 70.37 1.95 1.3379 2 3 2 70.90 1.38 1.3292 -6 0 4 70.95 2.08 1.3283 0 0 4 73.17 2.30 1.2934 -10 1 2 73.74 1.19 1.2849 -6 1 4 73.75 1.99 1.2848 -6 3 2 73.79 2.42 1.2841 0 1 4 75.84 1.68 1.2545 10 1 0 76.23 1.10 1.2489 1 4 0 76.54 2.92 1.2446 -10 0 3 76.58 3.00 1.2441 -2 3 3 76.79 1.19 1.2413 -3 3 3 78.76 2.51 1.2150 -4 2 4 78.98 2.33 1.2122 4 2 3 79.33 1.31 1.2078 1 4 1 79.96 1.01 1.1998 6 0 3 80.14 1.06 1.1975 -3 4 1 80.38 1.46 1.1946 -8 1 4 81.77 1.01 1.1778 10 0 1 82.04 1.39 1.1746 -6 2 4 82.09 2.23 1.1740 0 2 4 82.34 1.31 1.1711 -6 3 3 82.99 1.57 1.1636 8 3 0 84.49 2.74 1.1467 10 1 1 84.78 1.45 1.1435 -2 4 2 86.10 1.04 1.1293 5 4 0 87.48 3.04 1.1150 -10 2 3 88.62 2.04 1.1036 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.