Hafnon Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060987 Speer J A, Cooper B J American Mineralogist 67 (1982) 804-808 Crystal structure of synthetic hafnon, HfSiO4, comparison with zircon and the actinide orthosilicates CELL PARAMETERS: 6.5725 6.5725 5.9632 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/amd ATOM X Y Z OCCUPANCY ISO(B) Hf 0.00000 0.75000 0.12500 1.000 0.564 Si 0.00000 0.75000 0.62500 1.000 0.050 O 0.00000 0.06550 0.19480 1.000 0.730 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 196.8627895 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.11 89.38 4.4164 1 0 1 27.13 100.00 3.2863 2 0 0 34.00 33.57 2.6364 2 1 1 35.78 73.20 2.5095 1 1 2 38.75 21.75 2.3237 2 2 0 40.87 2.24 2.2082 2 0 2 44.03 22.95 2.0564 3 0 1 47.81 16.48 1.9026 1 0 3 52.49 20.38 1.7433 3 2 1 53.76 57.49 1.7050 3 1 2 55.83 10.05 1.6466 2 1 3 55.96 14.50 1.6431 4 0 0 60.08 7.95 1.5400 4 1 1 62.28 3.79 1.4908 0 0 4 63.16 4.91 1.4721 3 0 3 63.28 13.05 1.4697 4 2 0 68.22 16.03 1.3747 3 3 2 69.20 11.73 1.3576 2 0 4 70.03 3.51 1.3435 3 2 3 73.82 7.05 1.2837 4 3 1 73.82 2.03 1.2837 5 0 1 75.82 9.50 1.2548 2 2 4 76.62 4.77 1.2436 4 1 3 80.29 2.44 1.1957 5 2 1 81.32 12.48 1.1831 5 1 2 82.14 1.16 1.1735 1 0 5 83.14 3.40 1.1619 4 4 0 88.47 3.86 1.1051 2 1 5 88.57 5.85 1.1041 4 0 4 89.35 2.37 1.0964 5 0 3 89.35 2.44 1.0964 4 3 3 89.46 4.07 1.0954 6 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.