Turneaureite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070758 Wardojo T A, Hwu S-J Acta Crystallographica C52 (1996) 2959-2960 Chlorapatite: Ca5(AsO4)3Cl Locality: synthetic Note: anisotropic temperature factors taken from ICSD CELL PARAMETERS: 9.9900 9.9900 6.7820 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33333 0.66667 0.00500 1.000 0.876 Ca 0.26988 0.24976 0.25000 1.000 0.829 As 0.40949 0.03079 0.25000 1.000 0.537 O 0.15590 0.50810 0.25000 1.000 1.137 O 0.53470 0.39660 0.25000 1.000 0.916 O 0.35110 0.08920 0.05350 1.000 1.374 Cl 0.00000 0.00000 0.12630 0.500 1.721 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 28.77400552 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.22 21.45 8.6516 1 0 0 16.61 9.74 5.3375 1 0 1 17.76 7.66 4.9950 1 1 0 20.53 5.83 4.3258 2 0 0 22.10 39.16 4.0219 1 1 1 24.41 10.36 3.6471 2 0 1 26.28 34.22 3.3910 0 0 2 27.27 7.79 3.2700 1 2 0 30.35 69.64 2.9455 1 2 1 30.35 30.36 2.9455 2 1 1 31.01 64.65 2.8839 3 0 0 31.90 45.49 2.8056 1 1 2 33.58 27.44 2.6688 2 0 2 33.77 3.65 2.6539 3 0 1 37.48 1.14 2.3995 1 3 0 37.48 1.98 2.3995 3 1 0 38.41 3.24 2.3436 2 2 1 39.85 2.42 2.2621 1 3 1 39.85 26.50 2.2621 3 1 1 43.94 4.35 2.0606 4 0 1 45.08 19.04 2.0109 2 2 2 45.71 7.83 1.9848 2 3 0 45.71 2.61 1.9848 3 2 0 46.35 2.49 1.9587 1 3 2 47.74 1.60 1.9049 2 3 1 47.74 7.88 1.9049 3 2 1 48.20 2.89 1.8879 1 4 0 48.20 1.70 1.8879 4 1 0 48.98 17.36 1.8595 1 2 3 48.98 8.85 1.8595 2 1 3 50.02 1.45 1.8235 4 0 2 51.35 1.29 1.7792 3 0 3 52.92 2.85 1.7303 5 0 0 53.49 20.07 1.7130 2 3 2 54.09 11.54 1.6955 0 0 4 54.75 1.17 1.6766 5 0 1 55.20 3.03 1.6638 1 0 4 55.73 1.70 1.6495 1 4 2 55.88 4.47 1.6454 1 3 3 55.88 10.10 1.6454 3 1 3 56.26 3.15 1.6350 4 2 0 56.95 2.10 1.6170 3 3 1 57.39 1.89 1.6055 1 1 4 58.03 3.43 1.5895 2 4 1 58.03 6.47 1.5895 4 2 1 59.11 1.54 1.5628 4 0 3 59.49 1.84 1.5539 1 5 0 60.02 11.92 1.5413 5 0 2 61.19 7.25 1.5146 1 5 1 61.62 2.98 1.5052 1 2 4 61.62 1.04 1.5052 2 1 4 62.10 1.22 1.4946 3 3 2 62.24 1.03 1.4915 2 3 3 63.13 3.22 1.4727 2 4 2 63.13 1.54 1.4727 4 2 2 63.67 6.51 1.4616 3 0 4 65.64 1.21 1.4223 3 4 0 65.64 1.87 1.4223 4 3 0 66.15 3.12 1.4126 1 5 2 66.27 3.51 1.4104 6 0 1 67.26 3.81 1.3920 3 4 1 67.62 4.91 1.3854 2 5 0 67.62 1.16 1.3854 5 2 0 71.04 1.55 1.3269 6 0 2 71.17 1.91 1.3248 2 4 3 71.17 4.59 1.3248 4 2 3 71.51 1.01 1.3194 6 1 0 72.00 5.53 1.3116 4 3 2 72.16 2.01 1.3090 1 1 5 73.45 1.60 1.2892 3 2 4 73.45 2.07 1.2892 2 3 4 73.90 2.32 1.2825 5 2 2 74.03 3.39 1.2805 1 5 3 75.95 3.82 1.2529 1 2 5 75.95 1.29 1.2529 2 1 5 77.66 1.41 1.2296 6 1 2 78.71 2.94 1.2157 6 0 3 79.08 1.09 1.2110 5 0 4 79.64 3.44 1.2039 3 4 3 81.52 2.53 1.1808 3 1 5 81.84 3.07 1.1769 4 2 4 81.84 2.28 1.1769 2 4 4 83.19 1.17 1.1612 7 0 2 83.19 1.81 1.1612 5 3 2 84.59 2.95 1.1456 1 5 4 86.00 1.39 1.1303 0 0 6 87.01 1.56 1.1199 3 2 5 88.74 2.70 1.1025 1 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.