Fluorapatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050617 Hughes J M, Cameron M, Crowley K D American Mineralogist 74 (1989) 870-876 Structural variations in natural F, OH, and Cl apatites Locality: Durango Mexico CELL PARAMETERS: 9.3690 9.3690 6.8775 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.66667 0.33333 0.00100 1.000 0.900 Ca -0.00712 0.24227 0.25000 1.000 0.762 P 0.36895 0.39850 0.25000 1.000 0.569 O 0.48490 0.32730 0.25000 1.000 0.985 O 0.46670 0.58750 0.25000 1.000 1.187 O 0.25750 0.34210 0.07050 1.000 1.307 F 0.00000 0.00000 0.25000 1.000 0.648 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: 15.01094294 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.90 9.88 8.1138 1 0 0 16.90 3.70 5.2464 1 0 1 18.94 1.49 4.6845 1 1 0 21.91 5.36 4.0569 2 0 0 22.97 6.54 3.8717 1 1 1 25.49 2.03 3.4943 2 0 1 25.91 37.66 3.4388 0 0 2 28.19 12.07 3.1661 1 0 2 29.12 14.04 3.0667 1 2 0 31.95 69.56 2.8009 1 2 1 31.95 30.44 2.8009 2 1 1 32.29 40.35 2.7721 1 1 2 33.12 57.66 2.7046 3 0 0 34.18 25.73 2.6232 2 0 2 35.67 3.81 2.5170 3 0 1 39.37 4.77 2.2888 1 2 2 40.07 4.46 2.2504 1 3 0 40.07 16.61 2.2504 3 1 0 40.69 2.86 2.2172 2 2 1 42.26 1.93 2.1388 1 3 1 42.26 3.88 2.1388 3 1 1 43.97 4.42 2.0591 1 1 3 44.67 1.25 2.0284 4 0 0 45.44 3.60 1.9959 2 0 3 46.94 26.84 1.9358 2 2 2 48.34 5.65 1.8830 1 3 2 48.34 7.87 1.8830 3 1 2 48.93 3.42 1.8614 3 2 0 49.65 23.73 1.8362 1 2 3 49.65 10.07 1.8362 2 1 3 50.82 8.28 1.7968 2 3 1 50.82 7.76 1.7968 3 2 1 51.62 7.17 1.7706 4 1 0 51.62 6.16 1.7706 1 4 0 52.31 1.17 1.7488 3 0 3 52.37 13.09 1.7471 4 0 2 53.28 15.95 1.7194 0 0 4 56.19 7.53 1.6370 2 3 2 57.38 1.93 1.6059 1 3 3 57.38 1.54 1.6059 3 1 3 58.43 1.64 1.5794 5 0 1 60.37 4.43 1.5334 4 2 0 60.83 4.09 1.5227 3 3 1 61.87 2.14 1.4997 2 1 4 61.87 1.05 1.4997 1 2 4 62.01 2.06 1.4966 4 2 1 63.38 10.78 1.4676 5 0 2 63.88 1.14 1.4573 1 5 0 64.19 8.29 1.4510 3 0 4 64.48 5.44 1.4451 2 3 3 65.47 5.99 1.4256 1 5 1 65.67 1.36 1.4218 3 3 2 70.14 1.57 1.3418 5 1 2 72.13 4.13 1.3095 3 4 1 72.79 2.62 1.2992 2 5 0 74.29 1.53 1.2767 2 5 1 74.44 3.33 1.2745 4 2 3 75.80 1.60 1.2550 2 1 5 75.80 3.58 1.2550 1 2 5 76.62 2.39 1.2436 4 3 2 77.08 1.14 1.2373 1 6 0 77.36 4.43 1.2335 4 1 4 77.36 2.66 1.2335 1 4 4 77.64 3.58 1.2298 1 5 3 78.74 5.02 1.2154 5 2 2 81.57 1.05 1.1801 5 0 4 83.93 3.89 1.1529 3 4 3 84.53 1.80 1.1463 0 0 6 84.70 2.02 1.1444 4 2 4 84.70 1.31 1.1444 2 4 4 86.00 1.19 1.1303 2 5 3 87.64 3.31 1.1134 1 1 6 87.81 1.83 1.1117 1 5 4 88.35 1.56 1.1062 3 2 5 89.15 1.03 1.0984 7 0 2 89.15 1.17 1.0984 5 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.