Almandine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050029 Novak G A, Gibbs G V American Mineralogist 56 (1971) 791-825 The crystal chemistry of the silicate garnets sample Al CELL PARAMETERS: 11.5442 11.5442 11.5442 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Si 0.37500 0.00000 0.25000 1.000 0.163 Al 0.00000 0.00000 0.00000 1.000 0.277 Fe 0.12500 0.00000 0.25000 0.860 0.494 Mg 0.12500 0.00000 0.25000 0.090 0.494 Ca 0.12500 0.00000 0.25000 0.040 0.494 O 0.03427 0.04860 0.65332 1.000 0.354 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 36.42606465 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.83 5.02 4.7129 2 1 1 21.78 2.56 4.0815 2 2 0 28.94 3.13 3.0853 3 2 1 30.99 32.88 2.8860 4 0 0 34.75 100.00 2.5814 4 2 0 36.51 3.41 2.4612 3 3 2 38.19 20.21 2.3564 4 2 2 39.82 10.19 2.2640 4 3 1 42.91 15.99 2.1077 5 2 1 44.39 3.63 2.0407 4 4 0 48.62 10.69 1.8727 6 1 1 48.62 10.59 1.8727 5 3 2 55.12 15.75 1.6663 4 4 4 57.57 30.51 1.6009 6 4 0 58.78 1.68 1.5710 5 5 2 59.96 36.90 1.5427 6 4 2 64.58 9.75 1.4430 8 0 0 65.71 1.17 1.4210 7 4 1 73.35 7.93 1.2907 8 4 0 75.48 16.77 1.2596 8 4 2 77.58 5.97 1.2306 6 6 4 82.77 1.52 1.1661 8 5 3 82.77 1.24 1.1661 9 4 1 85.85 1.70 1.1320 10 2 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.