Bohmite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R120123 Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F Journal of Solid State Chemistry 159 (2001) 32-40 Relationship between crystallite size and bond lengths in boehmite Locality: synthetic Sample: preparation T = 140 C _database_code_amcsd 0014001 CELL PARAMETERS: 2.8730 12.2430 3.7000 90.000 90.000 90.000 SPACE GROUP: Cmcm ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 -0.31920 0.25000 1.000 0.600 O 0.00000 0.29270 0.25000 1.000 1.000 OH 0.00000 0.07800 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 2 +/- 11 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 22.19902315 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.47 100.00 6.1215 0 2 0 28.18 46.71 3.1665 0 2 1 38.31 43.36 2.3492 1 3 0 45.75 4.43 1.9832 1 3 1 48.87 30.06 1.8636 1 5 0 49.25 20.28 1.8500 0 0 2 51.61 5.27 1.7709 0 2 2 55.19 13.19 1.6644 1 5 1 60.50 5.77 1.5304 0 8 0 64.07 14.45 1.4534 1 3 2 64.91 7.02 1.4365 2 0 0 66.90 2.11 1.3985 2 2 0 67.63 6.53 1.3853 1 7 1 71.91 13.53 1.3129 1 5 2 72.22 4.37 1.3082 2 2 1 79.23 1.60 1.2090 0 2 3 81.65 3.85 1.1792 0 8 2 83.10 3.93 1.1623 0 10 1 85.60 5.12 1.1346 2 0 2 87.42 1.76 1.1156 2 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.