Diaspore Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060546 Hill R J Physics and Chemistry of Minerals 5 (1979) 179-200 Crystal structure refinement and electron density distribution in diaspore Sample: Neutral atom refinement CELL PARAMETERS: 4.4035 9.4324 2.8475 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Al 0.04476 -0.14456 -0.25000 1.000 0.243 O 0.71228 0.19882 -0.25000 1.000 0.308 O 0.19698 0.05350 -0.25000 1.000 0.320 H 0.40950 0.08760 -0.25000 1.000 1.390 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 8 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 12.47238279 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.82 8.00 4.7162 0 2 0 22.28 100.00 3.9901 1 1 0 27.72 6.42 3.2186 1 2 0 35.07 24.94 2.5588 1 3 0 36.87 1.73 2.4377 0 2 1 37.62 3.98 2.3911 1 0 1 38.16 8.51 2.3581 0 4 0 38.85 63.12 2.3178 1 1 1 42.38 46.19 2.1327 1 2 1 43.54 46.32 2.0788 1 4 0 47.79 1.75 1.9033 1 3 1 50.23 5.21 1.8162 0 4 1 52.79 1.39 1.7341 1 5 0 53.50 15.71 1.7128 2 1 1 54.67 2.55 1.6790 1 4 1 56.30 50.49 1.6339 2 2 1 57.25 12.64 1.6093 2 4 0 58.73 2.29 1.5721 0 6 0 60.79 5.76 1.5236 2 3 1 62.73 24.37 1.4810 1 5 1 65.11 5.73 1.4326 2 5 0 65.57 16.88 1.4238 0 0 2 66.74 3.50 1.4015 3 2 0 66.77 3.31 1.4010 2 4 1 68.13 19.52 1.3763 0 6 1 70.19 6.59 1.3410 1 1 2 70.85 7.62 1.3300 3 3 0 72.44 4.75 1.3047 3 0 1 73.24 1.68 1.2924 3 1 1 73.50 5.48 1.2885 1 7 0 74.11 1.96 1.2794 2 6 0 75.62 4.42 1.2575 3 2 1 76.58 5.53 1.2441 1 3 2 78.47 2.26 1.2188 0 4 2 79.54 5.21 1.2051 3 3 1 82.03 7.62 1.1747 1 4 2 84.95 3.18 1.1416 3 4 1 88.90 1.06 1.1009 4 0 0 89.66 4.84 1.0935 4 1 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.