Fluorapatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060333 Hughes J M, Cameron M, Crowley K D American Mineralogist 76 (1991) 1857-1862 Ordering of divalent cations in the apatite structure: Crystal structure refinements of natural Mn- and Sr-bearing apatite sample Sr.63 CELL PARAMETERS: 9.4223 9.4223 6.9283 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.66667 0.33333 0.00086 0.984 0.850 Sr 0.66667 0.33333 0.00086 0.016 0.850 Ca -0.00854 0.24046 0.25000 0.906 0.792 Sr -0.00854 0.24046 0.25000 0.094 0.792 P 0.36912 0.39843 0.25000 1.000 0.600 O 0.48460 0.32690 0.25000 1.000 0.950 O 0.46650 0.58770 0.25000 1.000 1.130 O 0.25740 0.34160 0.07110 1.000 1.260 F 0.00000 0.00000 0.25000 1.000 2.000 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: 16.90692422 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.84 5.50 8.1600 1 0 0 16.79 3.01 5.2814 1 0 1 18.84 1.66 4.7112 1 1 0 21.78 6.22 4.0800 2 0 0 22.83 3.31 3.8958 1 1 1 25.33 1.31 3.5157 2 0 1 25.72 36.63 3.4641 0 0 2 27.98 12.70 3.1887 1 0 2 28.95 14.48 3.0842 1 2 0 28.95 1.33 3.0842 2 1 0 31.76 30.90 2.8176 2 1 1 31.76 69.10 2.8176 1 2 1 32.07 38.94 2.7909 1 1 2 32.93 51.41 2.7200 3 0 0 33.95 20.43 2.6407 2 0 2 35.45 3.05 2.5319 3 0 1 39.11 1.01 2.3035 2 1 2 39.11 3.26 2.3035 1 2 2 39.83 4.14 2.2632 1 3 0 39.83 15.62 2.2632 3 1 0 40.45 2.95 2.2302 2 2 1 42.00 1.84 2.1513 1 3 1 42.00 3.14 2.1513 3 1 1 43.65 5.04 2.0737 1 1 3 44.41 1.65 2.0400 4 0 0 45.11 3.48 2.0098 2 0 3 46.63 25.69 1.9479 2 2 2 48.02 4.83 1.8947 1 3 2 48.02 7.86 1.8947 3 1 2 48.64 3.18 1.8720 3 2 0 49.29 10.21 1.8486 2 1 3 49.29 23.73 1.8486 1 2 3 50.50 7.55 1.8072 3 2 1 50.50 8.59 1.8072 2 3 1 51.31 5.55 1.7806 1 4 0 51.31 7.29 1.7806 4 1 0 52.02 13.44 1.7578 4 0 2 52.86 14.96 1.7321 0 0 4 55.82 5.81 1.6469 2 3 2 56.97 1.65 1.6164 1 3 3 56.97 1.24 1.6164 3 1 3 58.07 1.36 1.5885 5 0 1 59.99 4.27 1.5421 4 2 0 60.45 4.42 1.5315 3 3 1 61.39 2.35 1.5102 2 1 4 61.39 1.26 1.5102 1 2 4 61.61 1.84 1.5053 4 2 1 62.96 10.22 1.4764 5 0 2 63.47 1.17 1.4656 1 5 0 63.70 7.34 1.4610 3 0 4 64.03 5.62 1.4543 2 3 3 65.05 5.63 1.4338 1 5 1 65.23 1.64 1.4303 3 3 2 69.66 1.30 1.3497 5 1 2 71.66 3.89 1.3170 3 4 1 72.31 2.26 1.3066 2 5 0 73.80 1.52 1.2840 2 5 1 73.90 3.03 1.2825 4 2 3 75.17 1.69 1.2640 2 1 5 75.17 3.66 1.2640 1 2 5 76.09 1.92 1.2510 4 3 2 76.56 1.24 1.2444 1 6 0 76.77 4.42 1.2416 4 1 4 76.77 2.43 1.2416 1 4 4 77.07 3.40 1.2374 1 5 3 78.19 5.06 1.2226 5 2 2 80.94 1.01 1.1878 5 0 4 83.30 3.58 1.1600 3 4 3 83.77 1.69 1.1547 0 0 6 84.03 1.99 1.1518 4 2 4 84.03 1.41 1.1518 2 4 4 85.36 1.16 1.1372 2 5 3 86.85 3.27 1.1215 1 1 6 87.11 1.83 1.1188 1 5 4 87.61 1.06 1.1137 2 3 5 87.61 1.49 1.1137 3 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.