Cahnite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R070182 Prewitt C T, Buerger M J American Mineralogist 46 (1961) 1077-1085 The crystal structure of cahnite, Ca2BAsO4(OH)4 CELL PARAMETERS: 7.0770 7.0770 6.1750 90.000 90.000 90.000 SPACE GROUP: I-4 ATOM X Y Z OCCUPANCY ISO(B) As 0.00000 0.00000 0.00000 1.000 0.600 B 0.00000 0.50000 0.25000 1.000 0.500 Ca 0.00000 0.00000 0.50000 1.000 1.300 Ca 0.00000 0.50000 0.75000 1.000 1.300 O 0.17800 0.05400 0.16700 1.000 1.000 O 0.16000 0.44400 0.11400 1.000 1.000 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: 31.59025691 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.72 24.12 5.0042 1 1 0 19.07 27.69 4.6528 1 0 1 25.17 100.00 3.5385 2 0 0 28.92 1.81 3.0875 0 0 2 31.77 4.28 2.8165 2 1 1 31.77 16.16 2.8165 1 2 1 34.12 58.34 2.6276 1 1 2 35.89 14.02 2.5021 2 2 0 38.70 17.86 2.3264 2 0 2 40.30 10.36 2.2379 3 1 0 40.95 10.10 2.2037 3 0 1 45.92 4.84 1.9764 1 0 3 46.73 6.57 1.9439 2 2 2 48.68 8.00 1.8706 3 2 1 48.68 1.30 1.8706 2 3 1 50.36 21.55 1.8120 3 1 2 50.36 27.08 1.8120 1 3 2 51.66 7.60 1.7693 4 0 0 53.07 1.39 1.7255 2 1 3 53.07 1.43 1.7255 1 2 3 55.05 1.38 1.6681 3 3 0 55.57 2.63 1.6537 4 1 1 55.57 1.64 1.6537 1 4 1 58.31 4.38 1.5825 2 4 0 58.31 4.33 1.5825 4 2 0 59.61 2.55 1.5509 3 0 3 60.29 2.44 1.5351 4 0 2 63.01 2.68 1.4752 1 1 4 63.38 10.71 1.4676 3 3 2 65.74 3.81 1.4205 2 3 3 66.03 6.82 1.4150 2 0 4 66.38 2.84 1.4083 2 4 2 67.48 2.73 1.3879 5 1 0 67.94 2.44 1.3796 4 3 1 67.94 1.02 1.3796 5 0 1 71.58 1.19 1.3182 1 4 3 71.86 7.81 1.3138 2 2 4 73.71 1.53 1.2854 5 2 1 74.70 1.74 1.2707 1 3 4 75.03 5.10 1.2659 1 5 2 75.03 3.89 1.2659 5 1 2 76.08 2.11 1.2510 4 4 0 81.63 2.36 1.1795 6 0 0 83.02 3.99 1.1632 4 0 4 86.08 3.00 1.1296 3 5 2 86.08 3.03 1.1296 5 3 2 87.09 2.21 1.1190 6 2 0 87.09 2.74 1.1190 2 6 0 88.48 4.13 1.1050 4 2 4 88.48 2.98 1.1050 2 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.