Andradite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120004 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 sample in air _database_code_amcsd 0001207 CELL PARAMETERS: 12.0240 12.0240 12.0240 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 0.03950 0.04880 0.65560 1.000 0.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 23.32720773 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.90 24.86 4.2511 2 2 0 29.72 75.80 3.0060 4 0 0 33.32 100.00 2.6886 4 2 0 35.00 9.21 2.5635 3 3 2 36.61 76.96 2.4544 4 2 2 38.16 15.39 2.3581 4 3 1 41.12 13.45 2.1953 5 2 1 46.56 11.43 1.9506 6 1 1 46.56 11.23 1.9506 5 3 2 47.84 15.23 1.9012 6 2 0 52.74 5.69 1.7355 4 4 4 55.08 27.58 1.6674 6 4 0 57.34 86.57 1.6068 6 4 2 61.72 13.11 1.5030 8 0 0 62.78 1.74 1.4801 7 4 1 65.92 2.79 1.4170 8 2 2 69.98 18.37 1.3443 8 4 0 71.98 16.35 1.3119 8 4 2 73.95 13.26 1.2818 6 6 4 74.93 1.03 1.2674 8 5 1 74.93 1.04 1.2674 7 5 4 77.83 1.48 1.2272 8 4 4 78.80 1.76 1.2146 9 4 1 78.80 1.68 1.2146 8 5 3 87.35 5.25 1.1164 10 4 0 87.35 8.51 1.1164 8 6 4 89.23 18.88 1.0976 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.