Durangite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060889 Kokkoros P Zeitschrift fur Kristallographie 99 (1938) 38-49 Uber die struktur des durangit NaAlF[AsO4] Locality: Durango, Mexico CELL PARAMETERS: 6.5900 8.5400 7.0510 90.000 115.420 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.66700 0.25000 1.000 1.500 Al 0.00000 0.00000 0.00000 1.000 0.600 As 0.00000 0.31700 0.25000 1.000 0.600 O 0.20800 0.43300 0.41700 1.000 1.000 O 0.09200 0.21100 0.09700 1.000 1.000 F 0.00000 0.94400 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 18.47560038 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.60 100.00 4.7702 -1 1 1 20.80 8.76 4.2700 0 2 0 25.11 41.30 3.5466 0 2 1 26.63 50.31 3.3474 1 1 1 27.53 73.85 3.2398 -1 1 2 28.02 22.64 3.1842 0 0 2 30.03 78.84 2.9760 2 0 0 31.10 32.68 2.8755 -2 0 2 34.40 20.64 2.6072 -2 2 1 34.94 74.87 2.5681 1 3 0 35.16 33.77 2.5526 0 2 2 36.81 13.53 2.4415 2 2 0 37.72 3.91 2.3851 -2 2 2 38.82 2.21 2.3195 1 1 2 40.22 26.41 2.2420 1 3 1 40.85 29.74 2.2088 -1 3 2 43.45 8.43 2.0829 -3 1 2 45.71 15.83 1.9851 -2 2 3 47.85 3.90 1.9008 0 2 3 48.68 5.62 1.8704 -3 1 3 49.56 13.78 1.8394 1 3 2 50.14 12.09 1.8193 2 0 2 50.45 1.28 1.8089 -1 3 3 50.98 5.18 1.7913 -2 4 1 51.54 4.08 1.7733 0 4 2 52.25 19.73 1.7508 -2 0 4 52.73 1.05 1.7360 1 1 3 52.93 3.36 1.7299 -3 3 1 53.44 14.60 1.7145 -3 3 2 53.45 6.09 1.7142 -2 4 2 54.85 13.02 1.6737 2 2 2 55.13 6.68 1.6658 3 1 1 55.85 1.73 1.6460 -4 0 2 56.01 1.20 1.6417 1 5 0 56.54 25.83 1.6277 3 3 0 56.84 1.18 1.6199 -2 2 4 57.92 7.35 1.5921 0 0 4 58.54 2.31 1.5767 2 4 1 59.82 1.32 1.5461 -2 4 3 59.82 2.22 1.5461 1 5 1 60.26 7.58 1.5359 -4 2 2 60.29 14.92 1.5351 -1 5 2 61.55 2.77 1.5066 -4 2 1 61.61 7.97 1.5053 0 4 3 62.41 8.94 1.4880 4 0 0 62.71 18.93 1.4816 -1 3 4 62.79 1.21 1.4799 -4 2 3 63.81 1.73 1.4586 3 3 1 64.85 13.29 1.4377 -4 0 4 65.59 2.64 1.4233 0 6 0 66.08 9.48 1.4140 -3 3 4 66.24 3.87 1.4110 3 1 2 67.17 9.72 1.3935 1 5 2 67.42 1.92 1.3891 0 6 1 67.91 1.84 1.3802 -1 5 3 67.96 3.33 1.3794 2 2 3 69.34 3.66 1.3552 -3 1 5 69.39 2.16 1.3544 -1 1 5 70.00 2.68 1.3441 -3 5 1 70.43 10.66 1.3368 -3 5 2 72.33 2.82 1.3065 -2 6 1 72.51 1.24 1.3036 -4 4 2 72.73 1.37 1.3002 -5 1 2 72.78 2.01 1.2994 0 6 2 73.11 2.38 1.2944 3 5 0 73.44 2.02 1.2893 -5 1 3 73.69 3.31 1.2856 -4 4 1 73.80 7.63 1.2840 2 6 0 74.18 1.47 1.2783 3 3 2 74.83 1.29 1.2688 -4 4 3 74.87 2.27 1.2682 4 2 1 75.93 9.49 1.2532 1 3 4 77.15 1.04 1.2364 -3 3 5 77.19 1.77 1.2358 -1 3 5 77.62 1.05 1.2301 1 5 3 78.25 1.70 1.2218 -4 2 5 78.34 1.58 1.2205 0 2 5 78.59 2.18 1.2172 -1 5 4 79.54 4.06 1.2051 2 0 4 79.82 2.84 1.2016 -2 6 3 79.88 1.87 1.2008 3 1 3 80.42 2.26 1.1942 -5 3 2 80.48 1.35 1.1934 -1 7 1 81.11 1.99 1.1857 -5 3 3 81.40 1.72 1.1822 0 6 3 81.86 1.03 1.1767 -2 4 5 82.50 2.54 1.1692 4 0 2 83.59 1.06 1.1567 1 7 1 85.11 1.19 1.1399 -5 1 5 85.18 4.95 1.1391 -5 3 4 86.25 2.69 1.1277 4 2 2 88.54 3.33 1.1044 -2 6 4 89.17 5.62 1.0982 5 3 0 89.32 1.85 1.0967 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.