Cahnite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110095 Prewitt C T, Buerger M J American Mineralogist 46 (1961) 1077-1085 The crystal structure of cahnite, Ca2BAsO4(OH)4 _database_code_amcsd 0000097 CELL PARAMETERS: 7.1060 7.1060 6.1960 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: 31.21725677 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.65 24.07 5.0247 1 1 0 19.00 27.62 4.6700 1 0 1 25.06 100.00 3.5530 2 0 0 28.82 1.81 3.0980 0 0 2 31.64 4.28 2.8277 2 1 1 31.64 16.16 2.8277 1 2 1 34.00 58.32 2.6371 1 1 2 35.74 14.03 2.5124 2 2 0 38.56 17.89 2.3350 2 0 2 40.13 10.39 2.2471 3 1 0 40.78 10.14 2.2125 3 0 1 45.75 4.85 1.9833 1 0 3 46.54 6.58 1.9513 2 2 2 48.47 8.04 1.8781 3 2 1 48.47 1.31 1.8781 2 3 1 50.15 27.17 1.8190 1 3 2 50.15 21.62 1.8190 3 1 2 51.44 7.62 1.7765 4 0 0 52.87 1.39 1.7317 2 1 3 52.87 1.43 1.7317 1 2 3 54.81 1.39 1.6749 3 3 0 55.33 2.64 1.6604 4 1 1 55.33 1.64 1.6604 1 4 1 58.05 4.40 1.5889 2 4 0 58.05 4.35 1.5889 4 2 0 59.37 2.56 1.5567 3 0 3 60.03 2.45 1.5411 4 0 2 62.77 2.69 1.4803 1 1 4 63.10 10.77 1.4734 3 3 2 65.46 3.83 1.4258 2 3 3 65.77 6.84 1.4199 2 0 4 66.09 2.86 1.4138 2 4 2 67.17 2.75 1.3936 5 1 0 67.63 2.45 1.3852 4 3 1 67.63 1.02 1.3852 5 0 1 71.27 1.19 1.3233 1 4 3 71.56 7.84 1.3185 2 2 4 73.36 1.54 1.2906 5 2 1 74.38 1.75 1.2754 1 3 4 74.68 3.91 1.2709 5 1 2 74.68 5.12 1.2709 1 5 2 75.72 2.12 1.2562 4 4 0 81.22 2.37 1.1843 6 0 0 82.65 4.00 1.1675 4 0 4 85.65 3.01 1.1341 3 5 2 85.65 3.04 1.1341 5 3 2 86.65 2.21 1.1236 6 2 0 86.65 2.75 1.1236 2 6 0 88.06 2.98 1.1092 2 4 4 88.06 4.14 1.1092 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.