Behoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130229 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: 4.6180 7.0490 4.5340 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: 2.715900811 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.56 100.00 7.0490 0 1 0 19.22 36.74 4.6180 1 0 0 19.58 18.96 4.5340 0 0 1 23.02 30.70 3.8629 1 1 0 23.02 1.74 3.8629 -1 1 0 23.33 37.60 3.8133 0 -1 1 23.33 1.18 3.8133 0 1 1 27.57 14.75 3.2353 1 0 1 30.40 6.72 2.9404 -1 -1 1 30.40 12.17 2.9404 1 -1 1 30.40 6.77 2.9404 -1 1 1 30.40 1.20 2.9404 1 1 1 31.94 3.87 2.8017 -1 2 0 31.94 3.07 2.8017 1 2 0 32.17 10.81 2.7826 0 -2 1 32.17 6.61 2.7826 0 2 1 37.74 2.35 2.3834 1 2 1 37.74 6.95 2.3834 -1 -2 1 37.74 1.12 2.3834 1 -2 1 37.74 3.99 2.3834 -1 2 1 38.31 2.54 2.3497 0 3 0 41.14 2.02 2.1943 -2 1 0 41.14 2.45 2.1943 2 1 0 41.86 3.06 2.1581 0 1 2 43.20 2.75 2.0942 -1 3 0 43.37 2.00 2.0862 0 3 1 44.01 2.21 2.0576 2 0 1 44.01 2.47 2.0576 -2 0 1 44.52 2.13 2.0350 -1 0 2 45.95 3.42 1.9751 -2 1 1 45.95 1.03 1.9751 2 1 1 46.44 1.63 1.9552 1 -1 2 46.44 1.28 1.9552 -1 1 2 46.44 1.90 1.9552 1 1 2 47.05 1.40 1.9314 2 2 0 47.05 3.18 1.9314 -2 2 0 47.70 2.81 1.9066 0 -2 2 47.84 1.37 1.9012 -1 -3 1 47.84 2.85 1.9012 1 3 1 51.88 2.14 1.7623 1 2 2 51.88 1.82 1.7623 1 -2 2 51.88 1.12 1.7622 0 4 0 55.84 1.27 1.6464 1 4 0 56.40 1.61 1.6315 0 -3 2 56.92 1.22 1.6177 -2 0 2 58.54 1.01 1.5767 -2 -1 2 59.74 1.07 1.5479 2 -3 1 60.15 1.03 1.5383 -1 -3 2 61.68 1.07 1.5039 -3 1 0 63.86 1.03 1.4576 -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.