Behoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130230 Seitz A, Rosler U, Schubert K Zeitschrift fur Anorganische und Allgemeine Chemie 261 (1950) 94-105 Kristallstruktur von beta-Be(OH)2 _database_code_amcsd 0015763 CELL PARAMETERS: 4.6150 7.0450 4.5230 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P2_12_12_ ATOM X Y Z OCCUPANCY ISO(B) Be 0.04700 0.12500 0.22000 1.000 0.500 OH 0.34500 0.01500 0.09000 1.000 1.000 OH 0.14000 0.28500 0.44000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 2.732153460 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.56 100.00 7.0450 0 1 0 19.23 36.72 4.6150 1 0 0 19.63 18.86 4.5230 0 0 1 23.04 1.74 3.8604 -1 1 0 23.04 30.68 3.8604 1 1 0 23.37 37.44 3.8061 0 -1 1 23.37 1.18 3.8061 0 1 1 27.61 14.70 3.2303 1 0 1 30.44 6.70 2.9363 -1 -1 1 30.44 12.13 2.9363 1 -1 1 30.44 6.75 2.9363 -1 1 1 30.44 1.20 2.9363 1 1 1 31.96 3.07 2.8001 1 2 0 31.96 3.87 2.8001 -1 2 0 32.21 10.78 2.7791 0 -2 1 32.21 6.59 2.7791 0 2 1 37.79 6.93 2.3808 -1 -2 1 37.79 1.11 2.3808 1 -2 1 37.79 3.98 2.3808 -1 2 1 37.79 2.35 2.3808 1 2 1 38.33 2.54 2.3483 0 3 0 41.17 2.02 2.1929 -2 1 0 41.17 2.45 2.1929 2 1 0 41.96 3.03 2.1533 0 1 2 43.23 2.75 2.0930 -1 3 0 43.42 2.00 2.0842 0 3 1 44.06 2.20 2.0555 2 0 1 44.06 2.46 2.0555 -2 0 1 44.62 2.11 2.0308 -1 0 2 46.00 3.41 1.9732 -2 1 1 46.00 1.03 1.9732 2 1 1 46.54 1.62 1.9513 1 -1 2 46.54 1.28 1.9513 -1 1 2 46.54 1.88 1.9513 1 1 2 47.08 3.17 1.9302 -2 2 0 47.08 1.40 1.9302 2 2 0 47.79 2.79 1.9031 0 -2 2 47.89 1.37 1.8995 -1 -3 1 47.89 2.84 1.8995 1 3 1 51.92 1.12 1.7613 0 4 0 51.98 1.81 1.7593 1 -2 2 51.98 2.12 1.7593 1 2 2 55.87 1.26 1.6455 1 4 0 56.49 1.60 1.6290 0 -3 2 57.02 1.21 1.6151 -2 0 2 58.64 1.01 1.5743 -2 -1 2 59.79 1.07 1.5467 2 -3 1 60.25 1.03 1.5361 -1 -3 2 61.72 1.07 1.5029 -3 1 0 63.92 1.03 1.4564 -3 0 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.