Fluorapatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040098 Hughes J M, Cameron M, Crowley K D American Mineralogist 74 (1989) 870-876 Structural variations in natural F, OH, and Cl apatites CELL PARAMETERS: 9.3925 9.3925 6.8839 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 0.904 Ca -0.00712 0.24227 0.25000 1.000 0.765 P 0.36895 0.39850 0.25000 1.000 0.572 O 0.48490 0.32730 0.25000 1.000 0.989 O 0.46670 0.58750 0.25000 1.000 1.191 O 0.25750 0.34210 0.07050 1.000 1.312 F 0.00000 0.00000 0.25000 1.000 0.651 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: 14.93223430 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.88 9.87 8.1341 1 0 0 16.87 3.69 5.2547 1 0 1 18.90 1.50 4.6962 1 1 0 21.85 5.36 4.0671 2 0 0 22.92 6.54 3.8795 1 1 1 25.44 2.02 3.5016 2 0 1 25.89 37.51 3.4420 0 0 2 28.15 12.03 3.1698 1 0 2 29.04 14.05 3.0744 1 2 0 31.88 69.57 2.8072 1 2 1 31.88 30.43 2.8072 2 1 1 32.25 40.25 2.7762 1 1 2 33.04 57.71 2.7114 3 0 0 34.13 25.69 2.6274 2 0 2 35.59 3.82 2.5227 3 0 1 39.29 4.77 2.2929 1 2 2 39.96 4.47 2.2560 1 3 0 39.96 16.66 2.2560 3 1 0 40.59 2.86 2.2224 2 2 1 42.15 1.94 2.1438 1 3 1 42.15 3.88 2.1438 3 1 1 43.92 4.41 2.0617 1 1 3 44.56 1.26 2.0335 4 0 0 45.38 3.60 1.9985 2 0 3 46.84 26.86 1.9397 2 2 2 48.23 5.66 1.8868 1 3 2 48.23 7.88 1.8868 3 1 2 48.80 3.43 1.8661 3 2 0 49.57 10.06 1.8389 2 1 3 49.57 23.70 1.8389 1 2 3 50.68 8.30 1.8011 2 3 1 50.68 7.77 1.8011 3 2 1 51.48 6.18 1.7750 1 4 0 51.48 7.19 1.7750 4 1 0 52.22 1.17 1.7516 3 0 3 52.25 13.10 1.7508 4 0 2 53.23 15.89 1.7210 0 0 4 56.06 7.54 1.6405 2 3 2 57.27 1.93 1.6087 1 3 3 57.27 1.54 1.6087 3 1 3 58.28 1.65 1.5832 5 0 1 60.20 4.45 1.5372 4 2 0 60.67 4.10 1.5264 3 3 1 61.78 2.13 1.5017 2 1 4 61.78 1.05 1.5017 1 2 4 61.84 2.06 1.5003 4 2 1 63.22 10.80 1.4708 5 0 2 63.70 1.15 1.4609 1 5 0 64.09 8.28 1.4530 3 0 4 64.35 5.44 1.4478 2 3 3 65.29 6.00 1.4291 1 5 1 65.50 1.37 1.4250 3 3 2 69.96 1.58 1.3448 5 1 2 71.93 4.14 1.3127 3 4 1 72.58 2.63 1.3025 2 5 0 74.08 1.54 1.2798 2 5 1 74.26 3.34 1.2771 4 2 3 75.69 1.60 1.2565 2 1 5 75.69 3.57 1.2565 1 2 5 76.41 2.40 1.2465 4 3 2 76.85 1.14 1.2404 1 6 0 77.21 2.66 1.2356 1 4 4 77.21 4.43 1.2356 4 1 4 77.45 3.58 1.2324 1 5 3 78.52 5.03 1.2182 5 2 2 81.40 1.04 1.1822 5 0 4 83.71 3.89 1.1554 3 4 3 84.43 1.79 1.1473 0 0 6 84.51 1.30 1.1465 2 4 4 84.51 2.02 1.1465 4 2 4 85.78 1.19 1.1327 2 5 3 87.53 3.29 1.1145 1 1 6 87.61 1.82 1.1137 1 5 4 88.19 1.55 1.1079 3 2 5 88.89 1.17 1.1010 5 3 2 88.89 1.03 1.1010 7 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.