Quartz Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050125 Kihara K European Journal of Mineralogy 2 (1990) 63-77 An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K CELL PARAMETERS: 4.9130 4.9130 5.4049 90.000 90.000 120.000 ALTERNATE SETTING FOR SPACE GROUP: P3_221 ATOM X Y Z OCCUPANCY ISO(B) Si 0.46970 0.00000 0.00000 1.000 0.531 O 0.41330 0.26720 0.11880 1.000 0.997 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 35.26317862 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.88 19.89 4.2548 1 0 0 26.66 69.97 3.3432 0 1 1 26.66 30.03 3.3432 1 0 1 36.58 7.22 2.4565 1 1 0 39.50 1.03 2.2812 0 1 2 39.50 6.26 2.2812 1 0 2 40.33 3.23 2.2364 1 1 1 42.49 5.32 2.1274 2 0 0 45.84 2.10 1.9796 2 0 1 50.19 12.64 1.8178 1 1 2 54.93 3.10 1.6716 0 2 2 55.38 1.64 1.6590 0 1 3 60.02 4.18 1.5414 2 1 1 60.02 5.03 1.5414 1 2 1 64.10 1.75 1.4528 1 1 3 67.81 1.41 1.3820 2 1 2 67.81 4.28 1.3820 1 2 2 68.21 1.38 1.3749 0 2 3 68.21 5.41 1.3749 2 0 3 68.38 4.23 1.3718 0 3 1 73.54 1.78 1.2878 1 0 4 75.74 1.97 1.2558 3 0 2 79.97 2.36 1.1997 2 1 3 81.26 2.46 1.1839 1 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.