Andradite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060423 Woodland A B, Ross C R Physics and Chemistry of Minerals 21 (1994) 117-132 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and64 CELL PARAMETERS: 11.9528 11.9528 11.9528 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Fe 0.12500 0.00000 0.25000 0.640 0.795 Ca 0.12500 0.00000 0.25000 0.360 0.795 Fe 0.00000 0.00000 0.00000 1.000 0.466 Si 0.37500 0.00000 0.25000 1.000 0.458 O 0.03780 0.04980 0.65610 1.000 0.676 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: 30.99956736 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.18 2.65 4.8797 2 1 1 21.02 11.95 4.2260 2 2 0 27.93 2.45 3.1945 3 2 1 29.90 65.39 2.9882 4 0 0 33.53 100.00 2.6727 4 2 0 35.22 4.42 2.5483 3 3 2 36.84 69.06 2.4399 4 2 2 38.40 11.46 2.3441 4 3 1 41.37 15.29 2.1823 5 2 1 46.85 11.69 1.9390 5 3 2 46.85 10.91 1.9390 6 1 1 48.15 9.33 1.8899 6 2 0 53.08 6.98 1.7252 4 4 4 55.43 28.69 1.6576 6 4 0 56.58 1.06 1.6266 6 3 3 56.58 1.02 1.6266 5 5 2 57.72 73.64 1.5973 6 4 2 62.13 12.87 1.4941 8 0 0 63.20 1.28 1.4713 7 4 1 66.36 1.51 1.4087 8 2 2 70.46 15.49 1.3364 8 4 0 72.47 16.44 1.3042 8 4 2 74.46 11.55 1.2742 6 6 4 79.36 1.24 1.2074 9 4 1 79.36 1.28 1.2074 8 5 3 88.00 5.26 1.1098 10 4 0 88.00 8.33 1.1098 8 6 4 89.91 16.06 1.0911 10 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.