CELL PARAMETERS: 7.1110 7.0311 7.0088 90.000 119.281 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.50000 0.00000 0.500 0.356 S 0.00000 0.12284 0.25000 0.500 0.456 O 0.18777 -0.00263 0.34654 1.000 0.827 O 0.00375 0.24270 0.07978 1.000 0.803 O 0.00000 0.58610 0.25000 0.500 0.710 H 0.00000 0.68418 0.25000 0.500 3.298 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.104844445 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.08 3.64 4.6513 1 1 0 19.28 52.79 4.6038 -1 1 1 25.33 8.14 3.5155 0 2 0 28.04 22.65 3.1818 1 1 1 28.46 100.00 3.1364 -1 1 2 28.79 45.33 3.1012 2 0 0 29.31 22.72 3.0476 0 2 1 35.93 12.81 2.4996 -2 2 1 38.72 21.53 2.3257 2 2 0 39.05 5.21 2.3067 0 2 2 39.13 7.11 2.3019 -2 2 2 40.71 5.55 2.2165 -3 1 1 41.17 3.33 2.1924 1 3 0 41.27 1.68 2.1874 -1 3 1 41.34 7.93 2.1840 -1 1 3 45.74 11.66 1.9835 3 1 0 46.56 4.56 1.9506 -3 1 3 46.60 5.63 1.9490 2 2 1 46.62 11.30 1.9482 -1 3 2 47.31 3.12 1.9212 -2 2 3 51.21 3.05 1.7840 2 0 2 51.41 3.86 1.7774 -4 0 2 51.86 2.50 1.7630 0 2 3 52.03 7.81 1.7578 0 4 0 52.20 9.13 1.7522 -2 0 4 54.96 2.56 1.6706 3 1 1 55.47 1.99 1.6565 1 1 3 55.66 1.01 1.6514 1 3 2 56.05 4.56 1.6407 -1 3 3 57.97 2.00 1.5909 2 2 2 58.16 1.55 1.5862 -4 2 2 58.89 11.90 1.5682 -2 2 4 59.63 7.86 1.5506 4 0 0 59.63 10.60 1.5504 3 3 0 59.98 2.09 1.5423 -4 2 1 60.31 3.66 1.5346 -3 3 3 60.58 1.53 1.5284 -4 2 3 60.79 5.36 1.5238 0 4 2 60.85 5.17 1.5224 -2 4 2 67.25 1.08 1.3921 3 1 2 68.01 2.46 1.3785 1 3 3 68.73 1.32 1.3657 -3 1 5 71.73 1.88 1.3159 1 1 4 72.07 1.98 1.3105 -5 1 4 72.35 1.05 1.3061 -1 1 5 72.42 1.62 1.3051 -1 5 2 76.01 7.67 1.2521 2 4 2 76.17 8.39 1.2498 -4 4 2 79.35 1.31 1.2076 -5 3 3 79.99 2.02 1.1994 -1 5 3 83.04 2.54 1.1630 1 3 4 83.06 1.83 1.1628 3 5 0 83.36 2.69 1.1593 -5 3 4 83.65 1.56 1.1560 -3 5 3 83.89 1.29 1.1533 0 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.