Almandine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040076 Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L Physics and Chemistry of Minerals 22 (1995) 159-169 Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP14 Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy CELL PARAMETERS: 11.5389 11.5389 11.5389 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Ca 0.12500 0.00000 0.25000 0.080 0.560 Fe 0.12500 0.00000 0.25000 0.530 0.560 Mn 0.12500 0.00000 0.25000 0.013 0.560 Mg 0.12500 0.00000 0.25000 0.373 0.560 Al 0.00000 0.00000 0.00000 0.995 0.390 Cr 0.00000 0.00000 0.00000 0.005 0.390 Ti 0.00000 0.00000 0.00000 0.005 0.390 Si 0.37500 0.00000 0.25000 1.000 0.290 O 0.03390 0.04890 0.65290 1.000 0.460 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: 27.69939410 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.84 1.18 4.7107 2 1 1 31.00 37.89 2.8847 4 0 0 34.77 100.00 2.5802 4 2 0 36.52 7.72 2.4601 3 3 2 38.21 20.89 2.3554 4 2 2 39.84 13.17 2.2630 4 3 1 42.93 14.94 2.1067 5 2 1 44.41 3.34 2.0398 4 4 0 48.64 9.61 1.8719 5 3 2 48.64 10.97 1.8719 6 1 1 49.99 1.19 1.8245 6 2 0 55.15 15.42 1.6655 4 4 4 57.60 32.53 1.6002 6 4 0 58.81 1.45 1.5702 5 5 2 60.00 42.44 1.5420 6 4 2 64.62 10.22 1.4424 8 0 0 65.74 1.44 1.4203 7 4 1 73.39 9.04 1.2901 8 4 0 75.52 16.61 1.2590 8 4 2 77.62 6.71 1.2301 6 6 4 78.66 1.00 1.2163 8 5 1 78.66 1.12 1.2163 7 5 4 82.81 1.93 1.1656 8 5 3 82.81 1.55 1.1656 9 4 1 85.90 1.71 1.1315 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.