Trolleite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050545 Moore P B, Araki T American Mineralogist 59 (1974) 974-984 Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral face-sharing dimers CELL PARAMETERS: 18.8000 7.1400 7.1400 90.000 99.990 90.000 SPACE GROUP: I2/c ATOM X Y Z OCCUPANCY ISO(B) Al 0.16778 -0.00654 0.32059 1.000 0.380 Al 0.07570 0.27118 0.41714 1.000 0.430 P 0.00000 0.88269 0.25000 1.000 0.350 P 0.16844 0.36728 0.08109 1.000 0.360 O 0.06458 0.01173 0.32611 1.000 0.600 O 0.02064 0.76272 0.09579 1.000 0.740 O 0.23738 0.46488 0.16861 1.000 0.730 O 0.11114 0.50844 0.00803 1.000 0.730 O 0.14191 0.24551 0.23708 1.000 0.560 O 0.18216 0.23516 -0.07554 1.000 0.750 Oh 0.00000 0.36428 0.25000 1.000 0.620 Oh 0.16141 0.87900 0.06966 1.000 0.530 H 0.00000 0.48400 0.25000 1.000 1.000 H 0.19000 0.80900 0.07200 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.616283446 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.29 21.79 6.6618 1 1 0 17.70 14.98 5.0100 0 1 1 19.07 1.24 4.6535 -2 1 1 19.17 11.99 4.6287 4 0 0 21.18 4.89 4.1945 2 1 1 24.52 12.01 3.6309 -4 1 1 25.49 6.04 3.4942 -2 0 2 26.76 12.21 3.3309 2 2 0 27.13 5.92 3.2872 5 1 0 27.81 100.00 3.2079 4 1 1 27.95 94.76 3.1928 -1 1 2 28.83 70.03 3.0969 1 2 1 28.93 35.31 3.0858 6 0 0 29.11 35.93 3.0678 -4 0 2 29.74 5.85 3.0045 -3 1 2 32.13 1.61 2.7857 -6 1 1 33.87 1.25 2.6467 3 1 2 35.21 2.86 2.5488 -6 0 2 35.72 35.09 2.5135 -5 2 1 35.85 7.31 2.5050 0 2 2 36.02 3.84 2.4934 6 1 1 38.12 2.38 2.3606 1 3 0 38.56 1.54 2.3346 6 2 0 38.70 2.43 2.3267 -4 2 2 38.91 1.37 2.3144 8 0 0 40.05 1.38 2.2512 -2 1 3 40.63 2.56 2.2206 3 3 0 40.66 3.32 2.2189 -2 3 1 40.88 1.65 2.2075 -8 1 1 40.98 3.90 2.2025 -7 1 2 43.13 4.73 2.0972 4 2 2 45.74 9.23 1.9838 4 3 1 45.82 6.04 1.9802 -1 3 2 45.91 7.73 1.9768 9 1 0 46.17 7.15 1.9661 -6 1 3 46.32 12.03 1.9601 7 2 1 46.55 15.08 1.9509 -3 2 3 49.93 2.65 1.8267 3 3 2 50.86 5.61 1.7954 8 0 2 50.90 9.24 1.7940 3 2 3 51.17 4.63 1.7850 0 4 0 51.18 4.10 1.7848 -2 0 4 51.65 4.83 1.7697 -10 0 2 52.09 1.89 1.7558 -8 1 3 52.37 2.26 1.7471 -4 0 4 53.04 1.34 1.7265 -1 1 4 54.66 1.77 1.6793 6 1 3 54.84 2.73 1.6742 1 1 4 54.86 1.70 1.6736 5 3 2 54.95 2.07 1.6708 10 1 1 54.98 1.67 1.6700 0 3 3 55.15 1.36 1.6655 4 4 0 55.34 1.83 1.6601 -5 1 4 57.45 14.31 1.6040 8 2 2 57.75 11.37 1.5964 -2 2 4 59.38 9.20 1.5564 9 3 0 59.39 1.42 1.5562 4 0 4 59.60 7.75 1.5512 -6 3 3 59.72 21.61 1.5484 2 4 2 59.86 4.22 1.5451 6 4 0 59.95 9.66 1.5429 12 0 0 59.96 6.46 1.5428 -4 4 2 60.13 5.17 1.5387 -11 2 1 60.33 5.69 1.5343 -9 2 3 60.34 12.71 1.5339 -8 0 4 60.41 1.21 1.5323 10 0 2 61.13 1.70 1.5161 2 2 4 63.64 1.54 1.4621 -6 4 2 66.92 3.88 1.3982 6 3 3 66.97 4.02 1.3974 11 1 2 67.08 4.86 1.3952 1 3 4 67.21 3.33 1.3928 -12 2 2 67.30 1.29 1.3912 3 5 0 67.44 4.46 1.3886 -4 1 5 71.10 3.74 1.3260 9 2 3 71.45 2.98 1.3203 -1 2 5 72.02 1.10 1.3113 -3 5 2 72.42 1.32 1.3050 -10 2 4 74.58 1.37 1.2725 -5 5 2 75.04 2.57 1.2658 8 4 2 75.19 3.05 1.2636 13 2 1 75.30 2.82 1.2621 -2 4 4 75.57 1.06 1.2583 6 5 1 75.68 18.58 1.2567 -10 4 2 75.72 2.53 1.2562 -7 2 5 76.87 1.06 1.2401 14 2 0 81.55 1.39 1.1804 12 1 3 81.55 1.11 1.1804 7 3 4 81.74 1.03 1.1781 2 3 5 81.84 1.06 1.1770 10 0 4 81.96 2.24 1.1756 5 2 5 82.17 2.03 1.1731 9 5 0 82.17 2.41 1.1730 4 4 4 82.21 1.25 1.1726 14 0 2 82.27 1.02 1.1720 0 0 6 82.36 2.29 1.1708 -6 5 3 82.48 2.63 1.1694 -14 3 1 82.53 1.83 1.1688 1 6 1 82.80 1.94 1.1658 -11 3 4 82.89 1.31 1.1647 -6 0 6 83.36 1.04 1.1594 -16 1 1 83.50 1.09 1.1577 -14 0 4 86.23 1.51 1.1280 -5 6 1 86.98 1.57 1.1202 -15 2 3 87.21 4.47 1.1178 10 2 4 87.63 5.40 1.1135 0 2 6 88.92 1.42 1.1007 6 5 3 89.06 1.52 1.0993 1 5 4 89.18 1.31 1.0981 16 1 1 89.92 2.03 1.0910 -9 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.