Fluellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070473 Guy B B, Jeffrey G A American Mineralogist 51 (1966) 1579-1592 The crystal structure of fluellite, Al2PO4F2(OH).7H2O CELL PARAMETERS: 8.5640 11.2220 21.1620 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fddd ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.00000 0.00000 1.000 0.303 P 0.12500 0.12500 0.12500 1.000 0.437 O 0.18120 0.90710 0.00330 1.000 1.048 O 0.02200 0.04570 0.08340 1.000 0.731 O 0.24150 0.99860 0.84140 1.000 1.695 F 0.12500 0.12500 0.27670 1.000 0.577 H 0.16600 0.99300 0.87400 1.000 1.803 H 0.28000 0.06000 0.25000 0.810 1.000 H 0.29000 0.10000 0.78000 0.750 1.000 H 0.22000 0.94000 0.81000 0.250 1.000 H 0.21000 0.90000 0.78000 0.750 1.000 H 0.34000 0.96000 0.14000 0.500 1.000 H 0.28000 0.96000 0.00000 0.250 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 10 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 14.39637448 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.66 100.00 6.4809 1 1 1 16.76 7.83 5.2905 0 0 4 17.89 14.28 4.9571 0 2 2 18.11 2.56 4.8986 1 1 3 22.40 1.33 3.9693 2 0 2 26.18 1.74 3.4040 2 2 0 27.53 35.74 3.2404 2 2 2 28.96 18.39 3.0832 1 3 3 29.92 7.56 2.9861 0 2 6 31.25 8.20 2.8626 2 2 4 32.40 10.79 2.7630 1 1 7 32.64 7.28 2.7432 3 1 1 32.90 2.73 2.7224 2 0 6 33.64 15.68 2.6638 1 3 5 33.89 8.91 2.6453 0 0 8 36.24 2.68 2.4786 0 4 4 36.69 8.59 2.4493 2 2 6 38.89 1.14 2.3157 3 1 5 39.96 5.09 2.2564 3 3 1 41.81 8.69 2.1603 3 3 3 42.12 2.93 2.1451 2 4 4 42.21 2.29 2.1410 4 0 0 44.39 2.92 2.0409 3 1 7 46.48 3.20 1.9537 2 4 6 46.85 2.35 1.9390 1 3 9 47.04 3.16 1.9318 1 5 5 50.27 2.74 1.8149 3 3 7 50.80 7.41 1.7972 2 2 10 51.84 3.62 1.7635 0 0 12 52.01 2.58 1.7583 3 5 1 52.60 1.96 1.7400 4 2 6 53.87 9.15 1.7020 4 4 0 54.21 4.83 1.6919 2 6 2 54.62 1.04 1.6804 4 4 2 56.34 1.40 1.6329 3 3 9 56.51 2.18 1.6285 3 5 5 58.73 2.84 1.5721 5 1 5 58.99 1.84 1.5658 2 2 12 60.78 4.93 1.5238 3 5 7 62.17 2.44 1.4930 0 4 12 63.24 2.37 1.4705 1 3 13 65.18 1.83 1.4313 4 4 8 66.97 1.04 1.3973 1 7 7 67.68 1.06 1.3844 5 3 7 68.40 2.39 1.3716 6 2 2 68.99 3.19 1.3612 4 0 12 70.73 2.72 1.3319 2 6 10 71.02 1.00 1.3273 3 7 5 80.10 1.30 1.1981 3 3 15 82.14 1.53 1.1735 5 1 13 83.49 1.55 1.1579 6 2 10 84.88 1.57 1.1424 1 9 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.