Arsenuranospathite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100008 Locock A J, Burns P C The Canadian Mineralogist 41 (2003) 489-502 Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite _database_code_amcsd 0005830 CELL PARAMETERS: 7.2800 7.2800 20.7300 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/nnc ATOM X Y Z OCCUPANCY ISO(B) U 0.25000 0.25000 0.45840 1.000 0.790 P 0.25000 -0.25000 0.50000 1.000 0.869 Cu 0.25000 0.25000 0.25000 1.000 1.737 O 0.25000 0.25000 0.37280 1.000 1.342 O 0.25000 0.25000 0.54290 1.000 1.658 O 0.25000 -0.02220 0.25000 1.000 2.842 O 0.21940 -0.07620 0.45650 1.000 1.263 O 0.02050 -0.16670 0.33910 1.000 1.974 H -0.06700 -0.10300 0.31300 1.000 3.948 H 0.05400 -0.14300 0.38100 1.000 3.948 H 0.18500 -0.10700 0.27800 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 55.61186449 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.53 100.00 10.3650 0 0 2 12.89 41.80 6.8688 1 0 1 17.11 23.27 5.1825 0 0 4 17.23 53.08 5.1477 1 1 0 17.70 30.99 5.0118 1 0 3 19.25 28.46 4.6104 1 1 2 24.37 8.33 3.6522 1 1 4 24.45 53.78 3.6400 2 0 0 24.71 80.67 3.6027 1 0 5 25.94 45.74 3.4344 2 0 2 27.74 15.11 3.2163 2 1 1 28.74 2.79 3.1061 2 1 2 30.00 21.89 2.9787 2 0 4 30.35 18.44 2.9452 2 1 3 31.18 2.10 2.8688 1 1 6 32.64 10.00 2.7431 1 0 7 34.86 10.58 2.5739 2 2 0 35.04 17.24 2.5606 2 1 5 35.95 18.24 2.4980 2 2 2 37.31 5.96 2.4102 3 0 1 38.91 2.53 2.3145 1 1 8 39.07 6.13 2.3052 2 2 4 39.13 25.76 2.3021 3 1 0 39.35 5.94 2.2896 3 0 3 40.12 13.25 2.2474 3 1 2 41.10 11.68 2.1960 1 0 9 41.21 14.65 2.1907 2 1 7 41.34 1.55 2.1841 3 1 3 42.99 5.91 2.1039 3 1 4 43.20 21.38 2.0943 3 0 5 43.66 6.08 2.0730 0 0 10 45.12 3.02 2.0096 3 2 1 46.88 7.15 1.9381 3 2 3 47.27 9.75 1.9229 1 1 10 47.46 1.10 1.9158 3 1 6 48.41 9.23 1.8803 2 1 9 48.50 5.84 1.8770 3 0 7 50.12 8.85 1.8200 4 0 0 50.26 15.99 1.8153 3 2 5 50.68 6.27 1.8014 2 0 10 50.94 4.88 1.7926 4 0 2 51.98 1.65 1.7593 4 1 1 53.22 2.85 1.7210 3 1 8 53.35 4.05 1.7172 4 0 4 53.39 5.64 1.7159 3 3 0 53.57 2.62 1.7107 4 1 3 54.18 3.38 1.6929 3 3 2 54.96 5.82 1.6706 3 0 9 55.05 7.04 1.6683 3 2 7 56.16 5.44 1.6377 1 1 12 56.49 1.88 1.6289 3 3 4 56.53 9.55 1.6279 4 2 0 56.66 10.84 1.6245 4 1 5 57.04 2.05 1.6145 2 2 10 57.29 6.15 1.6081 4 2 2 59.20 3.75 1.5607 2 0 12 59.52 3.28 1.5530 4 2 4 60.06 13.29 1.5405 3 1 10 61.03 5.64 1.5183 3 2 9 61.11 2.87 1.5166 4 1 7 62.75 1.21 1.4807 0 0 14 64.12 1.58 1.4524 4 3 1 65.02 2.62 1.4344 2 2 12 65.36 2.77 1.4277 5 1 0 65.52 2.02 1.4247 4 3 3 65.52 1.06 1.4247 5 0 3 65.61 3.54 1.4230 1 1 14 66.06 2.39 1.4144 5 1 2 66.75 3.80 1.4013 4 1 9 67.83 7.02 1.3817 3 1 12 68.12 1.01 1.3764 5 1 4 68.27 2.14 1.3738 5 0 5 68.27 6.41 1.3738 4 3 5 68.40 2.31 1.3716 2 0 14 68.62 2.98 1.3677 4 0 10 69.19 2.22 1.3578 1 0 15 71.05 1.59 1.3267 5 2 3 71.36 4.21 1.3218 3 3 10 72.32 1.60 1.3066 5 0 7 72.32 2.76 1.3066 4 3 7 73.60 1.77 1.2869 4 4 0 73.71 3.54 1.2853 5 2 5 73.83 1.19 1.2835 2 2 14 74.05 3.44 1.2803 4 2 10 74.26 1.49 1.2771 4 4 2 74.60 1.83 1.2721 2 1 15 75.94 1.24 1.2530 4 0 12 76.23 1.25 1.2490 4 4 4 76.26 2.13 1.2485 5 3 0 76.49 5.42 1.2454 3 1 14 76.92 1.81 1.2395 5 3 2 77.57 1.44 1.2307 5 0 9 77.57 3.07 1.2307 4 3 9 77.64 1.99 1.2298 5 2 7 78.58 2.64 1.2174 3 3 12 78.90 1.55 1.2133 6 0 0 79.54 1.95 1.2051 6 0 2 79.87 1.72 1.2009 3 0 15 81.19 1.75 1.1847 4 2 12 81.47 1.20 1.1814 6 0 4 81.65 1.46 1.1793 6 1 3 81.94 3.31 1.1758 5 1 10 82.79 1.58 1.1659 5 2 9 84.09 2.79 1.1511 6 2 0 84.20 3.07 1.1499 6 1 5 84.32 1.39 1.1486 4 0 14 84.73 2.89 1.1440 6 2 2 84.92 1.86 1.1419 2 1 17 85.06 1.97 1.1404 3 2 15 86.64 1.20 1.1237 6 2 4 86.89 2.18 1.1210 3 3 14 88.01 2.22 1.1096 6 1 7 88.94 3.00 1.1005 5 1 12 89.35 2.25 1.0965 5 4 5 89.47 1.81 1.0954 4 2 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.