Scheelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040173 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: 5.2430 5.2430 11.3761 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: 249.0749574 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.63 60.51 4.7616 1 0 1 28.74 100.00 3.1059 1 1 2 29.06 23.43 3.0726 1 0 3 31.46 13.61 2.8440 0 0 4 34.20 20.32 2.6215 2 0 0 39.23 3.83 2.2965 1 2 1 39.23 12.99 2.2965 2 1 1 39.95 1.45 2.2565 1 1 4 43.35 4.50 2.0872 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 12.76 1.8537 2 2 0 53.01 2.97 1.7274 3 0 1 54.35 15.76 1.6881 1 1 6 56.35 3.61 1.6328 2 1 5 56.35 4.42 1.6328 1 2 5 57.94 14.45 1.5917 3 1 2 57.94 11.33 1.5917 1 3 2 58.12 2.12 1.5872 3 0 3 59.53 11.04 1.5529 2 2 4 59.55 1.92 1.5523 1 0 7 64.62 3.34 1.4424 3 2 1 64.62 1.49 1.4424 2 3 1 65.66 1.83 1.4220 0 0 8 67.59 2.64 1.3860 3 0 5 69.19 2.74 1.3577 2 3 3 69.19 1.63 1.3577 3 2 3 70.50 1.95 1.3357 2 1 7 70.50 2.06 1.3357 1 2 7 72.05 3.39 1.3107 4 0 0 75.18 1.09 1.2637 4 1 1 75.18 1.69 1.2637 1 4 1 76.16 6.13 1.2500 2 0 8 76.29 4.53 1.2481 3 1 6 76.29 6.94 1.2481 1 3 6 77.71 1.43 1.2288 1 0 9 79.34 5.08 1.2076 3 3 2 79.50 1.63 1.2056 4 1 3 79.50 1.07 1.2056 1 4 3 80.72 4.62 1.1904 4 0 4 80.75 1.55 1.1901 3 0 7 82.23 2.39 1.1724 2 4 0 82.23 2.52 1.1724 4 2 0 86.20 3.82 1.1283 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.