Zircon Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050034 Hazen R M, Finger L W American Mineralogist 64 (1979) 196-201 Crystal structure and compressibility of zircon at high pressure crystal No. 1, 1 atm - before P CELL PARAMETERS: 6.6077 6.6077 5.9957 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/amd ATOM X Y Z OCCUPANCY ISO(B) Zr 0.00000 0.75000 0.12500 1.000 0.276 Si 0.00000 0.25000 0.37500 1.000 0.311 O 0.00000 0.06600 0.19510 1.000 0.503 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: 73.65179765 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.00 42.61 4.4402 1 0 1 26.99 100.00 3.3038 2 0 0 33.82 7.57 2.6506 2 1 1 35.58 58.08 2.5232 1 1 2 38.54 12.84 2.3362 2 2 0 40.64 6.07 2.2201 2 0 2 43.79 20.35 2.0675 3 0 1 47.53 13.63 1.9130 1 0 3 52.19 14.22 1.7526 3 2 1 53.45 54.07 1.7142 3 1 2 55.51 3.55 1.6555 2 1 3 55.64 14.85 1.6519 4 0 0 59.73 2.73 1.5482 4 1 1 61.90 3.08 1.4989 0 0 4 62.78 2.91 1.4801 3 0 3 62.90 9.75 1.4775 4 2 0 67.81 16.91 1.3821 3 3 2 68.77 10.22 1.3650 2 0 4 73.36 5.10 1.2906 4 3 1 75.33 8.79 1.2616 2 2 4 76.14 2.51 1.2503 4 1 3 80.80 9.59 1.1895 5 1 2 82.60 2.93 1.1681 4 4 0 87.86 2.56 1.1111 2 1 5 87.97 5.10 1.1101 4 0 4 88.75 1.96 1.1023 5 0 3 88.86 4.57 1.1013 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.