Scheelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040172 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 CELL PARAMETERS: 5.2434 5.2434 11.3747 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: 249.0652067 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.63 60.52 4.7618 1 0 1 28.74 100.00 3.1059 1 1 2 29.06 23.43 3.0725 1 0 3 31.46 13.60 2.8437 0 0 4 34.20 20.32 2.6217 2 0 0 39.23 12.99 2.2966 2 1 1 39.23 3.83 2.2966 1 2 1 39.96 1.45 2.2564 1 1 4 43.36 4.50 2.0870 1 0 5 45.48 2.57 1.9943 2 1 3 45.48 7.03 1.9943 1 2 3 47.15 29.69 1.9275 2 0 4 49.15 12.77 1.8538 2 2 0 53.01 2.97 1.7275 3 0 1 54.35 15.75 1.6879 1 1 6 56.35 3.61 1.6328 2 1 5 56.35 4.42 1.6328 1 2 5 57.93 14.46 1.5918 3 1 2 57.93 11.33 1.5918 1 3 2 58.11 2.12 1.5873 3 0 3 59.53 11.04 1.5530 2 2 4 59.56 1.92 1.5521 1 0 7 64.61 3.34 1.4425 3 2 1 64.61 1.49 1.4425 2 3 1 65.67 1.83 1.4218 0 0 8 67.59 2.64 1.3860 3 0 5 69.19 2.74 1.3578 2 3 3 69.19 1.63 1.3578 3 2 3 70.51 1.95 1.3356 2 1 7 70.51 2.06 1.3356 1 2 7 72.04 3.39 1.3109 4 0 0 75.18 1.09 1.2638 4 1 1 75.18 1.69 1.2638 1 4 1 76.17 6.13 1.2499 2 0 8 76.29 4.53 1.2481 3 1 6 76.29 6.94 1.2481 1 3 6 77.72 1.43 1.2287 1 0 9 79.34 5.08 1.2077 3 3 2 79.49 1.63 1.2057 4 1 3 79.49 1.07 1.2057 1 4 3 80.72 4.63 1.1905 4 0 4 80.75 1.55 1.1901 3 0 7 82.22 2.39 1.1725 2 4 0 82.22 2.52 1.1725 4 2 0 86.21 3.82 1.1282 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.