Behoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060659 Seitz A, Rosler U, Schubert K Zeitschrift fur Anorganische und Allgemeine Chemie 261 (1950) 94-105 Kristallstruktur von beta-Be(OH)2 CELL PARAMETERS: 4.6200 7.0400 4.5300 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: 2.717171323 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.57 100.00 7.0400 0 1 0 19.21 36.89 4.6200 1 0 0 19.60 18.97 4.5300 0 0 1 23.03 1.75 3.8625 -1 1 0 23.03 30.78 3.8625 1 1 0 23.35 37.60 3.8095 0 -1 1 23.35 1.18 3.8095 0 1 1 27.58 14.78 3.2345 1 0 1 30.41 1.21 2.9392 1 1 1 30.41 6.73 2.9392 -1 -1 1 30.41 6.78 2.9392 -1 1 1 30.41 12.19 2.9392 1 -1 1 31.96 3.88 2.7999 -1 2 0 31.96 3.08 2.7999 1 2 0 32.21 6.61 2.7795 0 2 1 32.21 10.80 2.7795 0 -2 1 37.77 6.95 2.3817 -1 -2 1 37.77 1.12 2.3817 1 -2 1 37.77 3.99 2.3817 -1 2 1 37.77 2.35 2.3817 1 2 1 38.36 2.53 2.3467 0 3 0 41.13 2.03 2.1949 -2 1 0 41.13 2.46 2.1949 2 1 0 41.90 3.05 2.1562 0 1 2 43.24 2.75 2.0922 -1 3 0 43.43 2.00 2.0837 0 3 1 44.00 2.48 2.0579 -2 0 1 44.00 2.22 2.0579 2 0 1 44.55 2.13 2.0337 -1 0 2 45.95 3.43 1.9752 -2 1 1 45.95 1.03 1.9752 2 1 1 46.48 1.63 1.9538 1 -1 2 46.48 1.28 1.9538 -1 1 2 46.48 1.90 1.9538 1 1 2 47.05 3.19 1.9313 -2 2 0 47.05 1.40 1.9313 2 2 0 47.75 2.80 1.9047 0 -2 2 47.89 1.37 1.8994 -1 -3 1 47.89 2.85 1.8994 1 3 1 51.93 1.82 1.7610 1 -2 2 51.93 2.13 1.7610 1 2 2 51.96 1.12 1.7600 0 4 0 55.90 1.26 1.6447 1 4 0 56.46 1.60 1.6297 0 -3 2 56.94 1.22 1.6173 -2 0 2 58.56 1.01 1.5762 -2 -1 2 59.77 1.08 1.5472 2 -3 1 60.21 1.03 1.5369 -1 -3 2 61.65 1.07 1.5044 -3 1 0 63.84 1.03 1.4580 -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.