Asbecasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060719 Sacerdoti M, Parodi G C, Mottana A, Maras A, Ventura G D Mineralogical Magazine 57 (1993) 315-322 Asbecasite: crystal structure refinement and crystal chemistry CELL PARAMETERS: 8.2993 8.2993 15.2470 90.000 90.000 120.000 SPACE GROUP: P-3c1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.59210 0.59210 0.75000 1.000 0.655 As 0.01870 0.29500 0.10270 1.000 0.703 Ti 0.00000 0.00000 0.25000 1.000 0.568 Si 0.66667 0.33333 0.07290 1.000 0.671 Be 0.33333 0.66667 0.13090 1.000 0.719 O 0.89330 0.77850 0.17540 1.000 0.924 O 0.53620 0.72170 0.17430 1.000 0.782 O 0.59800 0.46930 0.11610 1.000 0.995 O 0.33333 0.66667 0.02970 1.000 1.374 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 45.39457304 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.61 7.43 7.6235 0 0 2 12.31 2.98 7.1874 1 0 0 16.95 3.87 5.2296 0 1 2 16.95 2.04 5.2296 1 0 2 21.41 3.83 4.1497 1 1 0 22.20 25.58 4.0040 1 1 1 23.34 20.65 3.8117 0 0 4 24.77 1.17 3.5937 2 0 0 26.47 2.89 3.3675 0 1 4 27.44 2.16 3.2506 0 2 2 27.44 14.83 3.2506 2 0 2 27.75 100.00 3.2143 1 1 3 31.88 8.73 2.8072 1 1 4 32.97 2.74 2.7166 2 1 0 33.51 3.28 2.6745 1 2 1 33.51 10.48 2.6745 2 1 1 34.29 13.23 2.6148 0 2 4 34.29 1.84 2.6148 2 0 4 35.07 2.59 2.5590 1 2 2 35.07 2.21 2.5590 2 1 2 35.32 7.10 2.5412 0 0 6 36.57 4.76 2.4573 1 1 5 37.54 5.79 2.3958 1 2 3 37.54 1.19 2.3958 2 1 3 37.54 18.66 2.3958 3 0 0 39.42 6.67 2.2856 3 0 2 40.79 3.97 2.2122 1 2 4 41.68 2.68 2.1671 1 1 6 44.67 4.02 2.0284 3 0 4 45.50 1.55 1.9934 3 1 0 45.91 9.93 1.9766 1 3 1 47.12 8.22 1.9286 1 1 7 47.32 6.90 1.9209 2 2 3 47.72 1.33 1.9059 0 0 8 49.09 1.48 1.8558 2 1 6 50.05 4.26 1.8223 2 2 4 50.81 3.63 1.7969 4 0 0 51.75 2.15 1.7665 1 3 4 51.75 2.95 1.7665 3 1 4 52.49 7.76 1.7432 0 3 6 52.49 8.16 1.7432 3 0 6 52.86 1.32 1.7319 1 1 8 53.96 4.26 1.6994 1 2 7 53.96 5.17 1.6994 2 1 7 54.50 2.51 1.6837 2 0 8 55.04 2.82 1.6685 3 1 5 56.10 1.97 1.6393 2 3 1 56.63 1.31 1.6253 0 4 4 56.63 1.62 1.6253 4 0 4 57.15 6.65 1.6116 2 3 2 58.88 3.41 1.5684 1 1 9 58.88 1.70 1.5684 3 1 6 58.88 4.52 1.5684 3 2 3 58.88 2.50 1.5684 2 3 3 61.25 1.43 1.5134 2 3 4 61.25 5.71 1.5134 3 2 4 61.75 2.03 1.5023 2 2 7 61.91 1.51 1.4987 4 1 3 62.25 1.96 1.4915 3 0 8 63.23 1.21 1.4705 1 3 7 63.40 2.02 1.4671 0 4 6 65.19 1.80 1.4312 1 1 10 66.15 2.88 1.4126 5 0 2 66.63 1.16 1.4036 0 2 10 67.74 2.46 1.3832 3 3 0 69.47 2.10 1.3529 2 4 1 69.94 2.52 1.3450 0 5 4 70.87 1.92 1.3296 2 1 10 71.80 3.40 1.3147 1 1 11 71.80 1.83 1.3147 2 3 7 71.80 1.81 1.3147 3 2 7 73.34 1.59 1.2909 5 1 0 73.64 1.76 1.2863 5 1 1 74.56 1.14 1.2728 4 1 7 76.07 2.69 1.2512 1 5 3 76.07 1.64 1.2512 5 1 3 77.73 1.23 1.2286 2 2 10 78.18 1.18 1.2227 5 1 4 79.07 1.51 1.2111 3 1 10 83.08 1.53 1.1626 0 4 10 83.96 1.58 1.1526 4 2 7 83.96 2.32 1.1526 2 4 7 86.17 1.03 1.1286 1 1 13 87.05 1.66 1.1195 3 2 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.