Phenakite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040132 Downs J W, Gibbs G V American Mineralogist 72 (1987) 769-777 An exploratory examination of the electron density and electrostatic potential of phenakite CELL PARAMETERS: 12.4719 12.4719 8.2514 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) Si 0.19562 0.98402 0.74990 1.000 0.258 Be 0.19430 0.98410 0.41560 1.000 0.411 Be 0.19410 0.98220 0.08460 1.000 0.413 O 0.20975 0.12125 0.75030 1.000 0.375 O 0.33382 0.00040 0.74991 1.000 0.345 O 0.12223 0.91217 0.91497 1.000 0.359 O 0.12228 0.91342 0.58495 1.000 0.362 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 6.685876817 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.20 47.23 6.2359 1 1 0 19.65 1.99 4.5187 0 2 1 23.08 23.97 3.8541 0 1 2 24.33 27.10 3.6590 3 -1 1 24.33 45.96 3.6590 2 1 1 24.73 33.91 3.6003 3 0 0 27.20 2.86 3.2785 2 0 2 28.63 100.00 3.1180 2 2 0 30.81 6.49 2.9019 1 2 2 30.81 8.85 2.9019 -1 3 2 31.78 8.41 2.8158 -1 4 1 31.78 3.67 2.8158 1 3 1 35.68 37.46 2.5166 2 -1 3 35.68 37.57 2.5166 1 1 3 38.18 48.61 2.3570 1 4 0 38.18 3.00 2.3570 4 1 0 39.90 5.41 2.2594 0 4 2 41.31 32.48 2.1857 0 3 3 41.31 32.80 2.1857 3 0 3 42.56 1.34 2.1242 -2 5 2 43.54 43.03 2.0786 3 3 0 44.73 3.03 2.0262 1 0 4 45.79 5.08 1.9815 -2 6 1 47.51 9.54 1.9137 5 0 2 49.51 1.39 1.8411 3 -1 4 49.51 1.80 1.8411 2 1 4 50.71 3.12 1.8002 6 0 0 51.03 6.72 1.7897 1 4 3 51.03 6.70 1.7897 5 -1 3 52.10 3.37 1.7555 1 5 2 52.73 4.79 1.7359 4 3 1 52.73 1.28 1.7359 7 -3 1 52.94 1.46 1.7295 2 5 0 52.94 12.08 1.7295 5 2 0 55.40 10.51 1.6583 6 -3 3 55.40 10.39 1.6583 3 3 3 56.11 2.06 1.6392 4 0 4 56.41 1.10 1.6310 -3 7 2 57.01 1.63 1.6153 -1 7 1 60.51 2.07 1.5300 1 2 5 60.51 3.06 1.5300 -1 3 5 61.57 11.12 1.5062 0 6 3 61.57 11.02 1.5062 6 0 3 62.23 4.09 1.4919 0 5 4 63.08 1.12 1.4737 6 2 1 63.08 3.07 1.4737 8 -2 1 65.21 8.39 1.4306 1 7 0 65.21 7.13 1.4306 7 1 0 66.12 1.47 1.4132 6 -1 4 68.19 18.22 1.3752 0 0 6 69.02 1.40 1.3608 6 3 0 69.02 1.55 1.3608 3 6 0 72.02 1.78 1.3112 -4 9 2 72.55 1.05 1.3030 2 7 1 73.84 1.14 1.2833 4 2 5 74.80 5.46 1.2692 8 -1 3 74.80 19.18 1.2692 7 1 3 74.80 19.15 1.2692 -1 8 3 74.80 5.46 1.2692 1 7 3 75.57 3.70 1.2583 4 -2 6 75.57 3.67 1.2583 2 2 6 78.41 9.46 1.2197 3 6 3 78.41 9.50 1.2197 9 -3 3 79.25 1.44 1.2088 -3 7 5 79.94 11.50 1.2001 9 0 0 80.94 4.66 1.1878 1 4 6 80.94 4.65 1.1878 5 -1 6 84.31 1.18 1.1487 5 4 4 84.47 2.07 1.1469 3 3 6 84.47 2.09 1.1469 6 -3 6 85.48 1.10 1.1359 -5 -5 3 85.48 1.11 1.1359 5 5 3 85.80 1.22 1.1325 2 1 7 88.07 1.32 1.1091 2 6 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.