Scheelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050543 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: 5.2400 5.2400 11.3590 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: 249.8330597 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.65 60.55 4.7581 1 0 1 28.77 100.00 3.1032 1 1 2 29.10 23.41 3.0690 1 0 3 31.50 13.58 2.8398 0 0 4 34.22 20.33 2.6200 2 0 0 39.25 12.99 2.2951 2 1 1 39.25 3.84 2.2951 1 2 1 40.00 1.44 2.2539 1 1 4 43.41 4.49 2.0843 1 0 5 45.52 2.57 1.9926 2 1 3 45.52 7.03 1.9926 1 2 3 47.20 29.66 1.9256 2 0 4 49.18 12.77 1.8526 2 2 0 53.05 2.97 1.7264 3 0 1 54.42 15.72 1.6859 1 1 6 56.41 3.61 1.6311 2 1 5 56.41 4.41 1.6311 1 2 5 57.98 14.45 1.5907 3 1 2 57.98 11.33 1.5907 1 3 2 58.16 2.12 1.5860 3 0 3 59.58 11.03 1.5516 2 2 4 59.65 1.92 1.5501 1 0 7 64.66 3.34 1.4416 3 2 1 64.66 1.50 1.4416 2 3 1 65.77 1.82 1.4199 0 0 8 67.66 2.64 1.3847 3 0 5 69.25 2.74 1.3568 2 3 3 69.25 1.63 1.3568 3 2 3 70.60 1.95 1.3341 2 1 7 70.60 2.05 1.3341 1 2 7 72.10 3.39 1.3100 4 0 0 75.23 1.69 1.2630 1 4 1 75.23 1.09 1.2630 4 1 1 76.28 6.11 1.2483 2 0 8 76.38 4.53 1.2469 3 1 6 76.38 6.93 1.2469 1 3 6 77.85 1.42 1.2270 1 0 9 79.40 5.08 1.2069 3 3 2 79.56 1.63 1.2048 4 1 3 79.56 1.07 1.2048 1 4 3 80.79 4.62 1.1895 4 0 4 80.85 1.55 1.1888 3 0 7 82.29 2.39 1.1717 2 4 0 82.29 2.52 1.1717 4 2 0 86.33 3.82 1.1270 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.