Alforsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070356 Hata M, Marumo F, Iwai S, Aoki H Acta Crystallographica B35 (1979) 2382-2384 Structure of barium chlorapatite CELL PARAMETERS: 10.1282 10.1282 7.5758 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.33333 0.66667 0.00070 1.000 0.730 Ba 0.24490 0.26060 0.25000 1.000 0.690 P 0.40640 0.03460 0.25000 1.000 0.500 O 0.34320 -0.13740 0.25000 1.000 1.250 O 0.57900 0.11570 0.25000 1.000 1.220 O 0.35680 0.08580 0.08740 1.000 1.230 Cl 0.00000 0.00000 0.00000 1.000 0.970 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 75.76707848 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.51 5.25 5.0641 1 1 0 20.25 18.64 4.3856 2 0 0 21.10 21.67 4.2101 1 1 1 23.49 9.03 3.7879 0 0 2 25.62 18.94 3.4775 1 0 2 26.89 21.65 3.3152 1 2 0 26.89 5.81 3.3152 2 1 0 29.41 58.97 3.0372 1 2 1 29.41 30.15 3.0372 2 1 1 29.45 100.00 3.0332 1 1 2 30.58 53.83 2.9238 3 0 0 35.45 2.52 2.5320 2 2 0 36.95 1.65 2.4327 1 3 0 36.95 5.82 2.4327 3 1 0 38.91 5.50 2.3145 3 0 2 39.89 12.57 2.2599 1 1 3 41.17 4.03 2.1928 4 0 0 41.25 1.94 2.1884 2 0 3 42.97 34.81 2.1051 2 2 2 44.25 3.25 2.0469 1 3 2 44.25 14.41 2.0469 3 1 2 45.05 3.02 2.0123 2 3 0 45.05 3.45 2.0123 3 2 0 45.13 17.16 2.0089 1 2 3 45.13 9.73 2.0089 2 1 3 46.71 13.87 1.9448 2 3 1 46.71 7.22 1.9448 3 2 1 47.50 7.73 1.9140 1 4 0 47.50 12.90 1.9140 4 1 0 47.94 21.69 1.8978 4 0 2 48.04 12.82 1.8939 0 0 4 51.52 1.84 1.7739 1 1 4 52.64 2.10 1.7387 2 0 4 53.65 5.00 1.7083 1 4 2 54.35 1.23 1.6880 3 3 0 55.43 1.10 1.6576 2 4 0 55.43 3.38 1.6576 4 2 0 55.80 3.54 1.6476 3 3 1 55.91 3.79 1.6445 1 2 4 55.91 3.81 1.6445 2 1 4 56.86 1.77 1.6193 4 2 1 57.93 3.82 1.5918 5 0 2 58.02 12.00 1.5896 3 0 4 58.60 2.46 1.5754 1 5 0 58.66 7.19 1.5737 2 3 3 58.66 1.37 1.5737 3 2 3 59.98 7.03 1.5424 1 5 1 59.98 2.24 1.5424 5 1 1 60.00 8.33 1.5419 3 3 2 64.16 1.31 1.4516 1 1 5 65.07 2.42 1.4333 4 0 4 66.58 2.29 1.4045 2 5 0 66.64 1.29 1.4034 3 3 3 67.60 1.66 1.3857 4 2 3 67.87 2.92 1.3810 5 2 1 67.97 1.35 1.3792 2 3 4 67.97 1.09 1.3792 3 2 4 68.03 4.47 1.3781 1 2 5 68.03 2.24 1.3781 2 1 5 68.84 6.55 1.3638 6 0 2 69.79 2.20 1.3476 3 4 2 69.79 1.56 1.3476 4 3 2 69.87 3.76 1.3463 1 4 4 69.87 8.68 1.3463 4 1 4 70.39 1.45 1.3376 1 6 0 70.45 3.79 1.3366 1 5 3 70.45 1.13 1.3366 5 1 3 71.64 1.75 1.3172 1 6 1 71.66 9.04 1.3169 5 2 2 71.66 2.24 1.3169 2 5 2 75.02 5.23 1.2660 4 4 0 75.43 1.06 1.2602 3 3 4 76.35 2.24 1.2473 4 2 4 76.35 2.05 1.2473 2 4 4 77.82 1.90 1.2274 5 2 3 77.99 5.90 1.2251 1 1 6 79.07 2.45 1.2112 1 5 4 79.12 2.43 1.2104 2 3 5 79.12 1.28 1.2104 3 2 5 80.79 1.32 1.1896 7 0 2 80.79 3.24 1.1896 3 5 2 83.14 3.87 1.1618 7 1 0 86.04 3.74 1.1299 2 2 6 86.21 1.85 1.1282 2 5 4 86.93 2.35 1.1207 3 1 6 87.91 2.53 1.1107 1 7 2 89.59 3.03 1.0942 4 0 6 89.75 1.11 1.0926 1 6 4 89.81 2.13 1.0920 1 5 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.