Arsentsumebite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060949 Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A Mineralogy and Petrology 75 (2002) 79-88 The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia CELL PARAMETERS: 7.8410 5.9080 8.9220 90.000 112.140 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.71630 0.25000 0.24120 1.000 3.400 Pb 0.29870 0.25000 0.38690 1.000 2.800 Cu 0.00000 0.00000 0.00000 1.000 1.500 As 0.55840 0.25000 -0.17150 0.630 1.000 S 0.55840 0.25000 -0.17150 0.370 1.000 As -0.04490 0.25000 -0.35020 0.370 1.200 S -0.04490 0.25000 -0.35020 0.630 1.200 OH 0.17070 0.25000 0.08110 1.000 0.900 O -0.24130 0.25000 -0.46820 1.000 2.900 O 0.09280 0.25000 0.55630 1.000 4.800 O 0.43360 0.25000 0.93460 1.000 3.800 O 0.77540 0.25000 -0.05430 1.000 2.100 O -0.00020 0.03020 -0.24100 1.000 2.600 O 0.50990 0.02520 -0.28750 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 101.7558733 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.71 7.34 8.2641 0 0 1 12.19 1.18 7.2628 1 0 0 18.46 46.42 4.8062 0 1 1 19.07 2.60 4.6545 1 0 1 19.37 1.98 4.5831 1 1 0 19.79 5.95 4.4860 -1 1 1 20.33 1.69 4.3681 -1 0 2 21.51 8.78 4.1321 0 0 2 22.73 9.61 3.9116 -2 0 1 24.34 25.18 3.6562 1 1 1 24.51 5.22 3.6314 2 0 0 25.36 1.40 3.5123 -1 1 2 25.85 9.28 3.4469 -2 0 2 26.32 13.10 3.3861 0 1 2 27.34 100.00 3.2615 -2 1 1 28.60 17.87 3.1213 1 0 2 30.01 19.41 2.9772 -2 1 2 30.05 38.69 2.9740 -1 0 3 30.26 33.47 2.9540 0 2 0 30.39 4.86 2.9413 2 0 1 32.18 9.59 2.7816 0 2 1 32.44 41.30 2.7598 1 1 2 32.50 2.53 2.7547 0 0 3 32.56 1.61 2.7497 -2 0 3 32.73 7.38 2.7363 1 2 0 32.99 4.60 2.7152 -1 2 1 33.74 6.35 2.6564 -1 1 3 34.05 15.30 2.6331 2 1 1 36.01 1.34 2.4941 1 2 1 36.03 6.74 2.4929 -2 1 3 36.73 6.92 2.4470 -1 2 2 37.14 8.56 2.4209 3 0 0 37.42 4.89 2.4031 0 2 2 37.77 2.32 2.3821 -3 1 1 39.10 4.81 2.3038 1 0 3 39.20 1.27 2.2979 -3 0 3 39.32 23.41 2.2916 2 2 0 40.20 3.64 2.2430 -2 2 2 41.34 1.35 2.1840 -2 0 4 42.10 1.73 2.1464 1 1 3 42.12 3.39 2.1455 1 2 2 42.69 2.97 2.1179 3 0 1 43.16 16.81 2.0958 -1 2 3 43.56 11.86 2.0777 -1 1 4 45.04 7.77 2.0127 -2 2 3 45.50 8.19 1.9937 3 1 1 46.43 6.41 1.9558 -4 0 2 46.50 1.04 1.9530 -3 2 1 47.46 4.40 1.9157 0 3 1 48.41 14.59 1.8803 -3 1 4 48.55 6.13 1.8751 -4 0 3 48.63 2.08 1.8725 3 2 0 49.06 2.58 1.8567 -4 1 2 49.63 4.02 1.8368 -4 1 1 50.22 7.41 1.8167 1 2 3 50.25 3.98 1.8157 4 0 0 50.31 2.70 1.8138 -3 2 3 50.31 2.58 1.8137 1 3 1 51.40 1.79 1.7778 0 3 2 51.90 1.89 1.7617 -1 0 5 51.99 11.10 1.7590 -2 3 1 52.75 7.77 1.7352 1 1 4 52.85 1.72 1.7324 3 1 2 53.14 1.26 1.7234 -4 0 4 53.22 7.33 1.7212 3 2 1 53.60 2.72 1.7099 -2 3 2 54.13 2.76 1.6944 -3 0 5 54.17 1.52 1.6930 0 2 4 55.14 7.05 1.6655 1 3 2 55.54 2.07 1.6545 -4 1 4 55.60 1.97 1.6528 0 0 5 55.83 1.26 1.6467 -3 2 4 56.00 1.26 1.6420 -1 3 3 56.21 1.83 1.6364 2 3 1 56.42 7.95 1.6308 -4 2 2 56.50 1.20 1.6288 -3 1 5 56.94 1.05 1.6173 -4 2 1 58.28 2.02 1.5831 -4 2 3 59.59 3.46 1.5515 3 0 3 59.88 3.12 1.5446 3 2 2 60.40 1.11 1.5325 -5 0 1 61.26 6.39 1.5130 -1 2 5 61.45 2.23 1.5089 2 1 4 62.46 1.32 1.4870 -2 0 6 62.62 2.38 1.4834 -5 1 1 62.93 5.96 1.4770 0 4 0 63.11 2.28 1.4731 -1 3 4 64.63 2.13 1.4422 3 3 1 64.63 1.21 1.4420 -2 1 6 66.09 2.66 1.4137 -3 1 6 66.26 1.07 1.4106 5 1 0 66.96 4.44 1.3975 -3 3 4 67.93 1.60 1.3799 2 2 4 67.96 1.33 1.3794 -4 3 1 68.28 2.23 1.3736 3 2 3 70.54 1.60 1.3351 1 4 2 70.56 2.65 1.3347 1 3 4 71.29 3.94 1.3228 -1 4 3 71.91 1.57 1.3130 5 1 1 72.52 2.14 1.3035 5 2 0 74.53 1.93 1.2732 -6 1 3 75.38 1.22 1.2609 3 4 0 76.20 3.26 1.2494 -5 2 5 76.44 1.84 1.2461 -6 1 4 79.09 1.19 1.2108 2 2 5 80.36 1.13 1.1949 4 2 3 81.70 1.31 1.1787 -4 4 2 82.37 1.20 1.1708 -3 3 6 83.28 1.41 1.1603 -4 4 3 83.50 1.84 1.1577 0 1 7 85.93 2.01 1.1311 -2 5 1 88.47 1.02 1.1051 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.