Brucite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040077 Catti M, Ferraris G, Hull S, Pavese A Physics and Chemistry of Minerals 22 (1995) 200-206 Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa CELL PARAMETERS: 3.1467 3.1467 4.7679 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.430 O 0.33333 0.66667 0.22030 1.000 0.420 H 0.33333 0.66667 0.41300 1.000 2.475 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 2 +/- 2 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 17.30924469 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.61 69.09 4.7679 0 0 1 32.87 2.93 2.7251 1 0 0 38.03 99.07 2.3659 0 1 1 50.89 14.09 1.7943 1 0 2 50.89 32.27 1.7943 0 1 2 58.68 27.10 1.5733 1 1 0 62.13 13.21 1.4941 1 1 1 68.32 13.83 1.3729 1 0 3 68.32 1.11 1.3729 0 1 3 72.09 9.34 1.3101 2 0 1 80.60 1.93 1.1920 0 0 4 81.34 2.65 1.1830 0 2 2 81.34 5.85 1.1830 2 0 2 89.81 2.24 1.0921 1 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.