Althausite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R070113 Romming C, Raade G American Mineralogist 65 (1980) 488-498 The crystal structure of althausite, Mg4(PO4)2(OH,O)(F, ) CELL PARAMETERS: 8.3000 6.0770 14.4700 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Mg 0.13402 0.00414 0.16858 1.000 0.529 Mg 0.34763 0.25000 0.42143 1.000 0.608 Mg 0.07712 0.25000 0.57505 1.000 0.542 P 0.48845 0.25000 0.14583 1.000 0.332 P 0.22456 0.25000 0.84820 1.000 0.376 O 0.38234 0.04123 0.14137 1.000 0.637 O 0.60739 0.25000 0.06273 1.000 0.653 O 0.59147 0.25000 0.23554 1.000 0.650 O 0.11583 0.04268 0.85336 1.000 0.682 O 0.32077 0.25000 0.75588 1.000 0.684 O 0.34092 0.25000 0.93021 1.000 0.895 F 0.33500 0.25000 0.56627 0.250 0.492 O 0.09124 0.25000 0.07585 0.190 0.561 Oh 0.09124 0.25000 0.07585 0.370 0.561 H 0.15400 0.25000 0.03500 0.370 1.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 5.574503490 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.23 51.46 7.2350 0 0 2 12.29 44.16 7.1997 1 0 1 16.25 13.57 5.4538 1 0 2 21.31 3.72 4.1703 1 0 3 21.90 15.70 4.0589 1 1 2 24.61 100.00 3.6175 0 0 4 25.91 50.57 3.4385 1 1 3 26.73 77.51 3.3349 2 1 1 26.89 11.42 3.3162 1 0 4 28.37 41.43 3.1458 2 0 3 29.40 25.06 3.0385 0 2 0 30.71 47.40 2.9110 1 1 4 31.95 13.10 2.8015 0 2 2 31.97 38.58 2.7994 1 2 1 32.77 5.64 2.7327 1 0 5 32.96 15.89 2.7174 3 0 1 33.77 73.38 2.6544 1 2 2 34.71 17.25 2.5842 3 0 2 36.04 3.65 2.4923 1 1 5 36.21 14.97 2.4807 3 1 1 36.59 25.11 2.4558 1 2 3 37.29 1.68 2.4117 0 0 6 37.47 26.29 2.3999 3 0 3 37.83 6.66 2.3781 3 1 2 37.90 14.60 2.3738 2 0 5 38.70 3.48 2.3267 0 2 4 40.26 5.62 2.2403 1 2 4 40.81 13.15 2.2111 2 1 5 41.07 3.29 2.1976 3 0 4 41.31 1.51 2.1855 2 2 3 41.74 5.84 2.1641 1 1 6 43.62 20.24 2.0750 4 0 0 43.81 1.90 2.0666 3 1 4 44.09 1.15 2.0540 4 0 1 44.74 1.07 2.0256 3 2 1 46.23 8.18 1.9637 4 1 0 46.58 3.44 1.9500 1 3 1 47.75 19.11 1.9048 1 1 7 47.90 1.73 1.8989 1 3 2 48.01 1.59 1.8951 4 1 2 48.17 37.35 1.8890 0 2 6 48.68 3.03 1.8706 2 2 5 49.25 2.08 1.8503 2 0 7 50.18 1.28 1.8179 3 0 6 50.53 10.00 1.8061 2 3 1 50.72 1.42 1.7999 4 0 4 52.97 4.51 1.7287 1 3 4 53.06 2.05 1.7258 4 1 4 53.47 8.84 1.7136 4 2 0 54.04 8.89 1.6970 1 1 8 54.97 4.81 1.6705 3 2 5 55.08 12.76 1.6674 4 2 2 55.49 3.01 1.6560 3 0 7 56.55 1.43 1.6273 1 3 5 56.68 10.16 1.6241 3 3 1 57.70 3.32 1.5977 3 1 7 57.84 6.28 1.5942 3 3 2 58.39 4.92 1.5803 2 2 7 58.83 1.25 1.5696 5 0 3 59.09 2.74 1.5635 5 1 2 59.23 1.31 1.5600 3 2 6 59.71 19.58 1.5486 4 2 4 59.74 3.67 1.5480 3 3 3 60.04 4.72 1.5409 2 3 5 60.61 2.34 1.5277 1 2 8 60.83 16.00 1.5227 4 1 6 60.99 25.32 1.5193 0 4 0 61.22 1.97 1.5139 3 0 8 61.46 7.67 1.5087 5 0 4 63.05 2.73 1.4745 4 2 5 63.96 7.82 1.4556 2 1 9 64.26 2.10 1.4495 4 3 0 64.26 1.63 1.4494 5 2 1 64.39 8.39 1.4470 0 0 10 65.34 7.01 1.4281 5 2 2 65.49 1.69 1.4253 1 3 7 66.78 5.19 1.4007 0 4 4 66.79 3.60 1.4007 1 2 9 66.99 36.56 1.3969 4 2 6 67.36 2.83 1.3901 3 0 9 67.49 3.41 1.3878 1 1 10 67.86 1.15 1.3812 1 4 4 68.60 3.17 1.3681 2 4 3 68.86 1.65 1.3635 4 0 8 69.98 5.98 1.3445 2 2 9 70.60 1.24 1.3340 5 1 6 70.75 1.14 1.3317 1 3 8 70.83 1.46 1.3304 4 1 8 71.09 3.27 1.3261 3 4 1 72.12 3.76 1.3097 3 4 2 72.79 1.60 1.2992 1 0 11 72.81 3.20 1.2990 6 1 3 73.11 1.17 1.2943 5 0 7 73.36 1.70 1.2905 1 2 10 73.82 5.76 1.2837 3 4 3 74.71 1.07 1.2705 1 1 11 75.15 5.21 1.2642 5 3 2 76.59 1.82 1.2440 4 2 8 76.71 6.83 1.2424 4 3 6 76.83 1.88 1.2407 5 3 3 77.77 1.50 1.2281 2 1 11 77.94 2.09 1.2258 4 4 0 78.15 2.19 1.2230 5 0 8 78.19 2.40 1.2226 6 1 5 78.52 1.01 1.2182 6 2 3 79.48 2.67 1.2058 0 0 12 79.54 3.97 1.2051 2 3 9 80.03 1.07 1.1990 5 1 8 82.70 2.86 1.1669 1 5 3 83.07 1.79 1.1626 2 5 1 84.22 1.07 1.1497 6 0 7 84.99 2.30 1.1412 1 5 4 85.72 2.31 1.1333 5 3 6 87.04 1.41 1.1195 3 4 7 87.82 1.82 1.1116 6 3 3 88.42 4.77 1.1056 4 2 10 89.95 1.24 1.0907 5 3 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.