Almandine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040168 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: alm85 CELL PARAMETERS: 11.5837 11.5837 11.5837 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Fe 0.12500 0.00000 0.25000 1.000 0.534 Al 0.00000 0.00000 0.00000 0.850 0.308 Fe 0.00000 0.00000 0.00000 0.150 0.308 Si 0.37500 0.00000 0.25000 1.000 0.237 O 0.03440 0.05000 0.65360 1.000 0.468 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: 39.46721611 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.76 7.58 4.7290 2 1 1 21.70 1.38 4.0955 2 2 0 28.84 4.76 3.0959 3 2 1 30.88 34.68 2.8959 4 0 0 34.63 100.00 2.5902 4 2 0 36.38 2.56 2.4697 3 3 2 38.06 26.03 2.3645 4 2 2 39.67 9.30 2.2718 4 3 1 42.76 16.75 2.1149 5 2 1 44.23 2.68 2.0477 4 4 0 48.44 10.65 1.8791 6 1 1 48.44 10.99 1.8791 5 3 2 54.91 14.27 1.6720 4 4 4 57.36 30.75 1.6064 6 4 0 58.56 1.70 1.5763 5 5 2 59.74 39.57 1.5479 6 4 2 63.21 1.02 1.4711 6 5 1 64.34 10.10 1.4480 8 0 0 73.06 8.47 1.2951 8 4 0 75.17 16.65 1.2639 8 4 2 77.26 6.32 1.2348 6 6 4 82.42 1.28 1.1701 8 5 3 82.42 1.06 1.1701 9 4 1 85.48 1.31 1.1359 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.