Artroeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100034 Kampf A R, Foord E E American Mineralogist 80 (1995) 179-183 Artroeite, PbAlF3(OH)2, a new mineral from the Grand Reef mine, Graham County, Arizona: Description and crystal structure CELL PARAMETERS: 6.2770 6.8420 5.0720 90.730 107.660 104.470 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.30975 0.19142 0.20352 1.000 0.754 Al 0.81100 0.32730 0.83640 1.000 0.609 F 0.79500 0.13780 0.57510 1.000 0.955 F 0.74070 0.48910 0.56270 1.000 0.823 F 0.51370 0.23080 0.81130 1.000 1.138 Oh 0.86290 0.55140 0.09810 1.000 0.704 Oh 0.89810 0.14320 0.09880 1.000 0.631 H 0.80700 0.50900 0.25300 1.000 1.579 H 0.86200 0.12200 0.25500 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 70.81167350 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.43 13.48 6.5944 0 1 0 15.37 11.44 5.7652 1 0 0 17.53 31.43 5.0590 -1 1 0 18.44 16.16 4.8107 0 0 1 19.95 100.00 4.4515 -1 0 1 21.80 49.82 4.0772 0 -1 1 22.76 36.73 3.9073 -1 1 1 23.04 46.03 3.8607 1 1 0 23.92 24.10 3.7202 0 1 1 25.42 5.47 3.5046 -1 -1 1 27.04 29.69 3.2972 0 2 0 27.35 39.95 3.2608 -1 2 0 27.66 50.92 3.2253 1 0 1 28.09 6.50 3.1772 1 -1 1 30.35 30.83 2.9447 -2 1 0 30.70 18.90 2.9124 -2 0 1 31.02 28.83 2.8826 2 0 0 31.39 6.45 2.8502 0 -2 1 31.83 1.80 2.8113 -1 2 1 33.43 3.45 2.6804 1 1 1 34.42 31.08 2.6056 0 2 1 34.50 24.05 2.5994 1 -2 1 34.75 1.01 2.5812 1 2 0 35.60 14.48 2.5217 -1 0 2 35.73 21.95 2.5129 -1 -2 1 36.25 11.80 2.4780 -2 -1 1 36.61 22.44 2.4549 -2 2 1 37.22 8.82 2.4157 2 1 0 37.39 13.48 2.4053 0 0 2 38.00 1.59 2.3679 -1 1 2 38.42 16.41 2.3429 -1 -1 2 40.14 7.61 2.2465 2 -1 1 41.06 19.00 2.1981 0 3 0 41.16 9.24 2.1930 0 1 2 41.27 15.01 2.1877 -2 1 2 41.30 5.77 2.1862 2 0 1 43.22 7.90 2.0932 1 2 1 43.60 3.72 2.0760 0 -3 1 43.64 15.82 2.0739 -3 1 1 43.70 10.11 2.0714 2 -2 1 43.75 7.32 2.0692 -1 3 1 44.44 25.05 2.0386 0 -2 2 44.45 9.79 2.0380 -2 -1 2 44.66 8.77 2.0290 1 -3 1 44.69 12.02 2.0276 -2 3 0 44.91 25.95 2.0185 -1 2 2 44.91 9.49 2.0183 1 -1 2 44.91 2.19 2.0183 -3 0 1 46.20 1.99 1.9651 -2 3 1 46.48 1.98 1.9536 -2 2 2 46.81 4.41 1.9407 -3 2 1 46.88 11.05 1.9379 2 1 1 47.08 9.98 1.9303 2 2 0 47.30 3.28 1.9217 3 0 0 48.03 8.70 1.8942 -3 2 0 48.07 5.55 1.8929 1 3 0 48.27 2.68 1.8854 -1 -3 1 48.91 1.23 1.8622 1 -2 2 49.75 5.80 1.8328 1 1 2 49.93 3.64 1.8267 -3 1 2 50.35 13.64 1.8123 -3 -1 1 50.54 7.77 1.8059 -3 0 2 52.20 6.75 1.7523 -2 -2 2 53.07 3.90 1.7257 3 1 0 53.32 4.79 1.7181 -3 2 2 53.59 10.49 1.7100 -1 4 0 53.72 1.26 1.7062 0 -3 2 53.81 2.52 1.7037 -3 3 1 54.41 2.06 1.6863 -3 3 0 54.89 8.48 1.6727 3 -1 1 55.38 3.67 1.6591 1 3 1 55.72 1.97 1.6498 2 -1 2 55.88 2.59 1.6455 -1 -1 3 55.88 1.24 1.6454 2 2 1 55.93 4.02 1.6441 -1 -3 2 56.11 6.02 1.6390 -2 0 3 56.44 1.91 1.6304 -2 4 0 56.55 4.13 1.6273 -1 1 3 56.95 2.87 1.6169 3 0 1 57.12 5.44 1.6127 2 0 2 57.28 2.58 1.6084 -1 4 1 57.31 5.69 1.6076 0 -4 1 57.47 6.29 1.6036 0 0 3 57.62 5.51 1.5997 -2 -3 1 57.78 4.28 1.5956 1 2 2 57.86 3.67 1.5937 0 -1 3 58.06 3.45 1.5886 2 -2 2 58.20 3.04 1.5852 -2 4 1 58.86 2.75 1.5689 -4 1 1 59.11 3.45 1.5628 -3 -2 1 59.64 2.89 1.5502 0 3 2 60.25 5.05 1.5361 -3 3 2 60.36 2.00 1.5334 -4 2 1 60.99 2.01 1.5192 -4 0 1 61.06 4.49 1.5176 -1 -2 3 61.15 4.50 1.5156 0 4 1 61.58 4.68 1.5061 2 -4 1 61.86 3.08 1.4999 -2 2 3 61.91 5.35 1.4987 3 -3 1 62.15 5.27 1.4935 -4 1 0 62.30 2.13 1.4903 -1 -4 1 62.33 1.65 1.4897 -4 1 2 62.34 1.24 1.4895 -1 2 3 62.54 1.79 1.4853 -3 1 3 62.56 1.10 1.4848 3 1 1 62.59 3.10 1.4840 1 4 0 62.79 1.38 1.4799 -2 -3 2 62.93 1.59 1.4769 -3 -2 2 63.15 1.19 1.4724 -4 2 0 63.77 4.02 1.4594 -3 4 1 63.86 1.39 1.4577 -3 4 0 63.90 3.96 1.4569 2 -3 2 64.24 1.63 1.4499 -4 2 2 64.87 1.81 1.4374 -2 -2 3 65.13 2.46 1.4323 1 0 3 65.34 3.98 1.4282 -4 3 1 65.50 2.08 1.4251 0 -4 2 65.95 2.37 1.4165 -3 2 3 66.14 3.39 1.4127 -3 -1 3 66.52 4.07 1.4056 -2 4 2 66.96 3.59 1.3974 1 -4 2 67.19 4.00 1.3933 1 -2 3 67.34 3.87 1.3905 0 2 3 67.37 2.13 1.3900 -1 4 2 67.43 5.04 1.3889 2 3 1 67.57 1.15 1.3864 -4 3 0 68.49 1.15 1.3699 -1 -4 2 68.90 3.36 1.3627 -4 -1 2 69.12 2.20 1.3591 0 -3 3 69.21 1.54 1.3575 1 1 3 69.70 1.49 1.3490 3 -1 2 69.71 2.05 1.3489 -2 3 3 70.23 1.15 1.3402 2 2 2 70.33 1.41 1.3386 3 -4 1 70.50 3.49 1.3358 4 1 0 70.78 1.43 1.3312 3 -2 2 71.23 1.75 1.3238 3 2 1 71.24 1.68 1.3237 1 -5 1 71.54 1.88 1.3189 0 5 0 72.01 3.41 1.3115 -4 1 3 72.12 1.92 1.3097 -2 5 1 73.07 1.78 1.2950 -4 0 3 73.57 1.52 1.2874 -3 -3 2 73.60 2.93 1.2869 3 3 0 73.96 1.25 1.2816 -2 -3 3 74.31 1.06 1.2764 2 -5 1 74.46 2.15 1.2742 4 0 1 74.96 2.57 1.2669 2 -1 3 75.11 1.36 1.2647 -4 4 0 75.12 1.63 1.2647 -4 -2 1 75.46 4.57 1.2598 -1 0 4 75.70 2.48 1.2564 -2 -4 2 75.84 2.62 1.2544 -3 5 0 75.92 1.83 1.2533 4 -3 1 76.52 2.35 1.2450 -5 2 1 76.57 1.03 1.2443 2 -2 3 77.27 1.75 1.2348 -2 -1 4 77.40 2.82 1.2330 3 1 2 77.68 2.55 1.2293 -5 1 2 77.82 1.79 1.2274 -4 4 2 77.91 1.29 1.2261 -1 -5 1 79.32 1.01 1.2079 4 2 0 79.45 2.44 1.2063 0 -5 2 79.51 1.91 1.2055 -3 0 4 79.61 2.37 1.2042 -4 3 3 79.87 1.83 1.2010 -3 1 4 80.45 1.04 1.1938 -1 -2 4 80.46 1.85 1.1936 -1 -4 3 81.15 1.47 1.1852 2 3 2 81.26 1.57 1.1839 -2 2 4 81.26 1.19 1.1839 2 4 1 81.39 2.64 1.1823 2 1 3 81.78 1.81 1.1777 1 4 2 81.89 1.93 1.1764 -1 5 2 82.16 1.73 1.1731 -3 4 3 82.18 1.09 1.1730 1 -4 3 82.38 2.02 1.1706 -5 3 2 82.53 1.69 1.1689 -3 5 2 82.54 1.59 1.1688 3 -4 2 82.59 2.28 1.1682 -3 -3 3 82.74 1.37 1.1665 0 -2 4 82.74 2.18 1.1664 -1 4 3 82.99 1.23 1.1636 0 1 4 83.26 1.03 1.1605 -1 2 4 83.70 2.23 1.1555 -5 3 0 83.92 1.52 1.1530 5 0 0 84.27 1.81 1.1491 -3 -4 1 84.33 1.87 1.1484 -4 5 1 84.37 1.39 1.1480 2 -5 2 84.73 1.41 1.1440 -4 -2 3 85.02 2.43 1.1409 -5 -1 1 85.23 1.85 1.1386 1 5 1 85.83 2.21 1.1322 -2 6 0 86.57 1.62 1.1244 1 3 3 86.62 2.15 1.1238 4 -1 2 87.02 1.41 1.1197 1 -1 4 87.09 1.56 1.1190 -5 0 3 87.37 1.59 1.1162 -2 -5 1 87.63 1.75 1.1135 -1 -3 4 87.89 1.36 1.1109 -4 -3 2 88.06 1.25 1.1092 1 0 4 88.26 1.74 1.1072 -3 -2 4 89.20 1.52 1.0980 2 -4 3 89.27 1.61 1.0973 -1 6 1 89.55 1.38 1.0945 0 -6 1 89.59 1.32 1.0941 2 5 0 89.62 1.47 1.0939 -4 2 4 89.87 1.84 1.0915 4 -3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.