Tridymite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090042 Hirose T, Kihara K, Okuno M, Fujinami S, Shinoda K Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69 X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Locality: synthetic Note: T = 298 K CELL PARAMETERS: 25.9380 5.0150 18.5470 90.000 117.680 90.000 SPACE GROUP: Aa ATOM X Y Z OCCUPANCY ISO(B) Si -0.01790 0.69820 0.03140 1.000 0.500 Si 0.01080 0.19790 -0.03930 1.000 0.500 Si 0.14680 0.21120 0.04690 1.000 0.500 Si 0.18120 0.71290 -0.01430 1.000 0.500 Si 0.30910 0.70740 0.01110 1.000 0.500 Si 0.34780 0.21060 -0.04520 1.000 0.500 Si 0.04160 0.79630 0.21880 1.000 0.500 Si 0.11580 0.29720 0.29890 1.000 0.500 Si 0.20570 0.31010 0.23380 1.000 0.500 Si 0.28320 0.80900 0.27030 1.000 0.500 Si 0.36760 0.69950 0.20030 1.000 0.500 Si 0.44250 0.19950 0.27040 1.000 0.500 O -0.08390 0.75100 0.01310 1.000 1.000 O -0.00110 0.89600 -0.02160 1.000 1.000 O -0.01290 0.39400 0.00740 1.000 1.000 O 0.07810 0.24900 -0.01090 1.000 1.000 O 0.18080 0.41300 0.01760 1.000 1.000 O 0.16630 -0.08900 0.04190 1.000 1.000 O 0.24370 0.77800 -0.00810 1.000 1.000 O 0.31150 0.41000 -0.01820 1.000 1.000 O 0.32870 -0.09100 -0.03830 1.000 1.000 O 0.02400 0.74500 0.12580 1.000 1.000 O 0.16030 0.26900 0.13800 1.000 1.000 O 0.35180 0.73800 0.10710 1.000 1.000 O -0.01500 0.75000 0.23070 1.000 1.000 O 0.06380 0.09800 0.24170 1.000 1.000 O 0.09340 0.59700 0.27630 1.000 1.000 O 0.17210 0.25100 0.28610 1.000 1.000 O 0.22970 0.61300 0.25070 1.000 1.000 O 0.25950 0.11100 0.26090 1.000 1.000 O 0.30950 0.75700 0.20900 1.000 1.000 O 0.38790 0.39800 0.22790 1.000 1.000 O 0.41900 0.90100 0.25570 1.000 1.000 O 0.13180 0.24200 0.39230 1.000 1.000 O 0.33360 0.76600 0.36130 1.000 1.000 O 0.47550 0.25200 0.36520 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 4 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 11.20865690 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.28 2.47 4.6033 -2 0 4 19.41 1.18 4.5726 1 1 1 20.47 100.00 4.3381 -3 1 1 20.54 57.25 4.3230 -6 0 2 21.02 1.85 4.2267 2 1 1 21.64 82.22 4.1061 0 0 4 22.83 1.27 3.8946 -2 1 3 23.18 26.49 3.8372 3 1 1 23.20 26.97 3.8343 -3 1 3 23.23 15.56 3.8283 6 0 0 23.27 14.90 3.8224 -6 0 4 24.19 3.16 3.6786 -4 1 3 25.75 2.72 3.4592 -5 1 3 25.77 2.17 3.4576 4 1 1 26.22 4.63 3.3982 2 0 4 27.56 3.63 3.2362 2 1 3 27.75 1.55 3.2153 -8 0 2 27.77 1.38 3.2120 -6 1 1 28.48 1.01 3.1340 -8 0 4 28.89 1.11 3.0909 -4 0 6 29.95 6.25 2.9835 3 1 3 29.98 7.57 2.9807 -3 1 5 29.99 4.57 2.9799 6 0 2 30.04 5.07 2.9744 -6 0 6 30.11 1.06 2.9682 -4 1 5 30.21 2.04 2.9581 -7 1 3 30.36 2.22 2.9438 -2 1 5 31.87 2.10 2.8084 -6 1 5 32.15 6.06 2.7838 4 0 4 32.66 1.28 2.7420 4 1 3 34.15 4.28 2.6255 -8 1 1 34.34 2.80 2.6114 1 1 5 34.79 1.19 2.5790 -10 0 4 35.36 3.64 2.5381 -8 1 5 35.81 21.61 2.5075 0 2 0 35.94 11.08 2.4988 -9 1 3 38.89 1.39 2.3160 3 1 5 38.91 2.05 2.3147 6 0 4 38.92 4.49 2.3141 -3 1 7 38.98 6.70 2.3108 -6 0 8 40.21 2.37 2.2426 -10 1 5 41.21 1.70 2.1907 -10 1 1 42.23 2.43 2.1400 0 2 4 42.52 2.05 2.1262 -11 1 3 43.13 3.05 2.0976 6 2 0 43.15 2.89 2.0966 -6 2 4 43.26 2.24 2.0913 -12 0 2 43.30 1.41 2.0894 -12 0 6 44.11 2.81 2.0531 0 0 8 46.62 1.32 1.9482 2 1 7 47.72 1.01 1.9060 -6 1 9 49.78 1.29 1.8316 -14 0 6 53.96 1.79 1.6993 -6 2 8 53.96 2.06 1.6991 4 0 8 54.01 2.57 1.6979 12 0 2 54.11 1.96 1.6949 -12 0 10 54.19 1.02 1.6926 -11 2 2 55.44 1.75 1.6573 1 1 9 56.03 3.85 1.6413 -3 3 1 56.27 1.89 1.6347 -15 1 5 57.24 1.25 1.6096 3 3 1 57.24 1.59 1.6093 -3 3 3 60.23 1.34 1.5365 3 1 9 60.27 1.97 1.5356 -3 1 11 60.32 1.82 1.5344 -6 0 12 63.29 1.45 1.4694 -8 3 1 64.06 1.16 1.4535 -8 3 5 64.43 2.59 1.4460 -9 3 3 64.69 1.94 1.4410 -18 0 6 64.74 1.10 1.4400 -2 0 12 66.51 1.27 1.4059 12 2 2 66.58 2.92 1.4046 15 1 1 66.69 1.31 1.4024 -15 1 11 67.32 1.06 1.3909 -10 3 5 69.03 1.03 1.3605 -18 0 2 72.17 1.50 1.3089 12 0 6 74.42 1.17 1.2748 -14 0 14 76.20 2.24 1.2494 -18 2 6 76.25 1.44 1.2487 -2 2 12 76.71 1.33 1.2423 -1 4 2 77.40 1.04 1.2329 1 4 2 79.80 1.64 1.2019 -15 3 5 79.85 1.14 1.2012 9 1 9 80.11 2.17 1.1979 -11 1 15 80.28 1.29 1.1958 -18 2 2 80.37 1.07 1.1947 -18 2 10 83.27 1.32 1.1603 12 2 6 83.33 1.64 1.1597 15 1 5 86.75 1.06 1.1225 -17 1 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.