Andradite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070722 Hazen R M, Finger L W American Mineralogist 74 (1989) 352-359 High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 5.0 GPa _database_code_amcsd 0001210 CELL PARAMETERS: 11.9230 11.9230 11.9230 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 0.540 Fe 0.00000 0.00000 0.00000 1.000 0.570 Ca 0.12500 0.00000 0.25000 1.000 0.660 O 0.03920 0.05040 0.65660 1.000 0.600 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: 23.41100445 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 21.08 23.81 4.2154 2 2 0 29.98 76.79 2.9808 4 0 0 33.62 100.00 2.6661 4 2 0 35.31 10.22 2.5420 3 3 2 36.93 80.51 2.4338 4 2 2 38.50 15.64 2.3383 4 3 1 41.48 13.72 2.1768 5 2 1 46.98 11.34 1.9342 5 3 2 46.98 11.35 1.9342 6 1 1 48.28 15.38 1.8852 6 2 0 53.23 5.49 1.7209 4 4 4 55.58 29.22 1.6534 6 4 0 57.88 88.25 1.5933 6 4 2 62.30 12.86 1.4904 8 0 0 63.37 1.68 1.4676 7 4 1 66.55 2.76 1.4051 8 2 2 70.66 18.35 1.3330 8 4 0 72.68 16.56 1.3009 8 4 2 74.68 13.25 1.2710 6 6 4 75.67 1.03 1.2568 8 5 1 75.67 1.11 1.2568 7 5 4 78.62 1.47 1.2169 8 4 4 79.60 1.69 1.2044 9 4 1 79.60 1.60 1.2044 8 5 3 88.28 8.45 1.1070 8 6 4 88.28 5.38 1.1070 10 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.