Scheelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150130 Hazen R M, Finger L W, Mariathasan J W E Journal of Physics and Chemistry of Solids 46 (1985) 253-263 High-pressure crystal chemistry of scheelite-type tungstates and molybdates Note: P = 0.0001 GPa, in air _database_code_amcsd 0013201 CELL PARAMETERS: 5.2460 5.2460 11.4090 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.25000 0.62500 1.000 0.580 W 0.00000 0.25000 0.12500 1.000 0.440 O 0.15070 0.00860 0.21060 1.000 0.680 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 247.8959474 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.62 60.45 4.7663 1 0 1 28.71 100.00 3.1098 1 1 2 29.00 23.48 3.0790 1 0 3 31.36 13.66 2.8523 0 0 4 34.18 20.28 2.6230 2 0 0 39.20 12.97 2.2980 2 1 1 39.20 3.83 2.2980 1 2 1 39.87 1.45 2.2611 1 1 4 43.24 4.52 2.0924 1 0 5 45.42 2.57 1.9967 2 1 3 45.42 7.03 1.9967 1 2 3 47.07 29.75 1.9307 2 0 4 49.12 12.75 1.8547 2 2 0 52.98 2.96 1.7285 3 0 1 54.21 15.83 1.6921 1 1 6 56.24 3.62 1.6357 2 1 5 56.24 4.43 1.6357 1 2 5 57.89 14.45 1.5929 3 1 2 57.89 11.32 1.5929 1 3 2 58.06 2.12 1.5888 3 0 3 59.38 1.93 1.5565 1 0 7 59.44 11.05 1.5549 2 2 4 64.57 3.33 1.4433 3 2 1 64.57 1.49 1.4433 2 3 1 65.44 1.84 1.4261 0 0 8 67.48 2.64 1.3880 3 0 5 69.12 2.74 1.3589 2 3 3 69.12 1.63 1.3589 3 2 3 70.33 1.96 1.3385 2 1 7 70.33 2.07 1.3385 1 2 7 72.00 3.38 1.3115 4 0 0 75.13 1.09 1.2645 4 1 1 75.13 1.69 1.2645 1 4 1 75.95 6.16 1.2529 2 0 8 76.15 6.96 1.2501 1 3 6 76.15 4.54 1.2501 3 1 6 77.46 1.44 1.2322 1 0 9 79.28 5.07 1.2084 3 3 2 79.42 1.63 1.2066 4 1 3 79.42 1.07 1.2066 1 4 3 80.57 1.56 1.1923 3 0 7 80.63 4.62 1.1916 4 0 4 82.17 2.39 1.1730 2 4 0 82.17 2.51 1.1730 4 2 0 85.98 3.83 1.1306 2 2 8 89.97 3.66 1.0905 1 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.