Durangite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120118 Downs G W, Yang B N, Thompson R M, Wenz M D, Andrade M B Acta Crystallographica E68 (2012) i86-i87 Redetermination of durangite, NaAl(AsO4)F Locality: the Barranca mine, Coneto de Comonfort, Durango, Mexico _database_code_amcsd 0019593 CELL PARAMETERS: 6.5789 8.5071 7.0212 90.000 115.447 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.50000 0.17173 0.25000 0.950 1.045 Li 0.50000 0.17173 0.25000 0.050 1.045 Al 0.00000 0.00000 0.00000 0.910 0.437 Fe 0.00000 0.00000 0.00000 0.090 0.437 As 0.00000 0.31455 0.25000 1.000 0.398 O 0.19850 0.43542 0.41553 1.000 0.754 O 0.10283 0.20307 0.11309 1.000 0.662 F 0.00000 0.06705 0.75000 0.730 0.568 OH 0.00000 0.06705 0.75000 0.270 0.568 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 19.22773164 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.21 1.09 4.8706 1 1 0 18.66 100.00 4.7557 -1 1 1 20.88 8.26 4.2536 0 2 0 25.21 37.26 3.5322 0 2 1 26.72 52.74 3.3362 1 1 1 27.64 75.21 3.2269 -1 1 2 28.15 24.21 3.1700 0 0 2 30.09 76.91 2.9703 2 0 0 31.19 30.29 2.8678 -2 0 2 34.49 24.72 2.6006 -2 2 1 35.06 66.09 2.5591 1 3 0 35.31 1.07 2.5420 -1 3 1 35.31 46.11 2.5418 0 2 2 36.91 11.96 2.4353 2 2 0 37.84 6.22 2.3778 -2 2 2 38.98 1.91 2.3106 1 1 2 40.38 25.14 2.2339 1 3 1 41.02 24.05 2.2002 -1 3 2 42.51 1.04 2.1268 0 4 0 43.54 11.00 2.0786 -3 1 2 45.88 16.97 1.9779 -2 2 3 47.12 1.33 1.9287 3 1 0 48.07 4.25 1.8926 0 2 3 48.82 5.15 1.8654 -3 1 3 49.76 9.76 1.8323 1 3 2 50.32 11.64 1.8133 2 0 2 50.67 1.81 1.8014 -1 3 3 51.16 5.05 1.7855 -2 4 1 51.76 3.60 1.7661 0 4 2 52.48 17.69 1.7438 -2 0 4 52.96 1.76 1.7290 1 1 3 53.07 3.73 1.7257 -3 3 1 53.59 12.80 1.7100 -3 3 2 53.65 4.94 1.7083 -2 4 2 55.05 17.03 1.6681 2 2 2 55.28 5.10 1.6617 3 1 1 55.96 1.66 1.6432 -4 0 2 56.24 1.85 1.6357 1 5 0 56.70 27.64 1.6235 3 3 0 58.21 6.79 1.5850 0 0 4 58.76 2.41 1.5715 2 4 1 60.06 1.81 1.5404 -2 4 3 60.06 2.19 1.5403 1 5 1 60.39 9.46 1.5328 -4 2 2 60.55 18.65 1.5292 -1 5 2 61.68 2.73 1.5037 -4 2 1 61.90 8.02 1.4991 0 4 3 61.90 1.77 1.4990 1 3 3 62.54 8.03 1.4852 4 0 0 62.95 1.48 1.4764 -4 2 3 63.01 20.70 1.4753 -1 3 4 64.02 1.86 1.4545 3 3 1 65.05 14.42 1.4339 -4 0 4 65.88 2.81 1.4179 0 6 0 66.34 9.30 1.4091 -3 3 4 66.46 3.84 1.4068 3 1 2 67.47 10.68 1.3882 1 5 2 67.72 1.72 1.3837 0 6 1 68.23 1.20 1.3746 -1 5 3 68.24 2.73 1.3744 2 2 3 69.64 3.64 1.3502 -3 1 5 69.74 1.55 1.3484 -1 1 5 70.24 1.88 1.3400 -3 5 1 70.69 12.98 1.3326 -3 5 2 72.62 2.93 1.3019 -2 6 1 72.72 1.20 1.3003 -4 4 2 72.87 1.13 1.2980 -5 1 2 73.12 1.22 1.2943 0 6 2 73.37 3.46 1.2905 3 5 0 73.61 2.09 1.2869 -5 1 3 73.90 3.94 1.2824 -4 4 1 74.10 7.00 1.2795 2 6 0 74.45 1.02 1.2743 3 3 2 75.07 1.07 1.2654 -4 4 3 75.09 2.61 1.2651 4 2 1 76.30 9.75 1.2480 1 3 4 77.49 1.26 1.2318 -3 3 5 77.59 1.55 1.2304 -1 3 5 78.55 1.54 1.2178 -4 2 5 78.75 1.93 1.2152 0 2 5 78.99 3.18 1.2122 -1 5 4 79.91 4.93 1.2004 2 0 4 80.18 3.09 1.1971 -2 6 3 80.20 2.50 1.1969 3 1 3 80.61 1.96 1.1917 -5 3 2 80.85 1.68 1.1889 -1 7 1 81.33 2.18 1.1831 -5 3 3 81.80 1.50 1.1774 0 6 3 82.27 1.14 1.1718 -2 4 5 82.77 2.49 1.1661 4 0 2 83.98 1.48 1.1523 1 7 1 85.39 1.45 1.1368 -5 1 5 85.44 4.77 1.1363 -5 3 4 86.55 2.68 1.1246 4 2 2 88.98 3.22 1.1001 -2 6 4 89.42 5.99 1.0958 5 3 0 89.70 2.61 1.0931 3 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.