Tilasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060618 Bladh K W, Corbett R K, McLean W J, Laughon R B American Mineralogist 57 (1972) 1880-1884 The crystal structure of tilasite CELL PARAMETERS: 6.6860 8.9520 7.5700 90.000 121.100 90.000 SPACE GROUP: Cc ATOM X Y Z OCCUPANCY ISO(B) As 0.00000 0.42930 0.25000 1.000 0.420 Ca 0.48670 0.58170 0.23920 1.000 0.570 Mg 0.25200 0.74700 0.50000 1.000 0.540 O 0.01200 0.31100 0.07600 1.000 0.700 O 0.26300 0.96700 0.62600 1.000 0.400 O 0.24800 0.53700 0.38200 1.000 0.700 O 0.00100 0.31600 0.42200 1.000 0.700 F 0.50800 0.33300 0.24700 1.000 0.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 17.19635740 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.50 11.22 5.0669 -1 1 1 18.40 39.79 4.8231 1 1 0 19.84 20.98 4.4760 0 2 0 24.16 26.32 3.6832 0 2 1 25.59 30.04 3.4812 -1 1 2 27.44 72.96 3.2508 1 1 1 27.52 45.41 3.2410 0 0 2 29.06 100.00 3.0731 -2 0 2 31.25 47.72 2.8625 2 0 0 33.38 92.53 2.6843 -1 3 1 33.54 21.92 2.6719 -2 2 1 34.16 55.86 2.6251 0 2 2 35.43 14.92 2.5334 -2 2 2 37.29 5.57 2.4115 2 2 0 37.48 3.66 2.3995 -1 1 3 38.44 26.07 2.3418 -1 3 2 39.75 36.52 2.2677 1 3 1 43.13 18.22 2.0972 -3 1 1 45.48 10.31 1.9943 2 2 1 46.68 2.25 1.9458 0 2 3 47.55 17.57 1.9121 -1 3 3 48.16 17.94 1.8893 -2 0 4 48.79 2.52 1.8664 3 1 0 49.04 1.51 1.8575 -2 4 1 49.39 1.34 1.8452 1 3 2 49.49 9.10 1.8416 0 4 2 51.28 1.46 1.7815 -3 3 2 51.86 12.51 1.7631 2 4 0 52.33 16.27 1.7482 -3 3 1 52.45 16.38 1.7445 2 0 2 52.58 21.86 1.7406 -2 2 4 52.90 1.45 1.7308 -3 1 4 53.29 3.69 1.7190 -1 5 1 54.32 36.55 1.6890 -3 3 3 55.16 4.80 1.6651 -4 0 2 55.84 1.74 1.6465 -2 4 3 56.63 2.36 1.6254 2 2 2 56.81 9.19 1.6205 0 0 4 57.89 20.78 1.5929 1 5 1 58.46 1.07 1.5788 2 4 1 59.20 9.35 1.5606 -4 2 2 59.34 1.62 1.5574 -1 3 4 59.46 5.21 1.5544 0 4 3 59.81 1.16 1.5463 -4 2 3 60.23 8.16 1.5365 -4 0 4 61.02 1.88 1.5186 -3 3 4 61.55 24.04 1.5066 1 3 3 62.22 3.88 1.4920 0 6 0 62.32 1.78 1.4898 -4 2 1 63.39 5.03 1.4672 -3 1 5 64.05 11.49 1.4538 -1 5 3 64.55 2.04 1.4437 -2 4 4 65.18 16.36 1.4313 4 0 0 65.21 1.82 1.4306 -2 2 5 65.57 1.84 1.4237 1 5 2 65.63 11.72 1.4225 3 3 1 67.16 1.73 1.3938 -3 5 2 68.05 12.34 1.3777 -3 5 1 68.87 1.17 1.3633 4 2 0 68.97 1.99 1.3616 -2 6 1 69.34 3.92 1.3553 0 6 2 69.69 1.85 1.3492 3 1 2 69.76 5.46 1.3481 -3 5 3 70.11 10.05 1.3422 -2 6 2 70.49 2.86 1.3359 -4 4 2 70.78 3.00 1.3312 -3 3 5 71.04 2.92 1.3269 -4 4 3 71.28 1.95 1.3231 2 6 0 71.32 1.07 1.3224 -5 1 3 71.64 2.00 1.3172 -4 2 5 72.77 1.34 1.2996 -5 1 2 73.24 11.13 1.2925 -1 3 5 76.17 4.27 1.2498 1 5 3 76.29 1.73 1.2481 1 7 0 76.50 1.75 1.2452 0 2 5 76.80 1.69 1.2412 3 3 2 76.91 1.64 1.2396 2 6 1 78.37 1.80 1.2202 -5 -3 3 79.91 1.19 1.2005 3 5 1 82.09 2.61 1.1740 2 0 4 82.35 1.82 1.1709 -2 6 4 84.43 2.68 1.1473 -5 -3 1 84.73 3.18 1.1441 -3 5 5 85.32 2.40 1.1377 -1 7 3 85.42 3.58 1.1366 -5 -3 5 85.51 4.22 1.1356 2 2 4 85.63 1.79 1.1343 1 1 5 85.67 5.38 1.1339 2 6 2 87.07 2.13 1.1192 -1 5 5 87.09 1.74 1.1190 0 8 0 87.60 1.54 1.1138 4 0 2 89.23 5.06 1.0976 0 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.