Arsentsumebite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110041 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 _database_code_amcsd 0014646 CELL PARAMETERS: 7.8580 5.9080 8.8350 90.000 112.000 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: 103.4358738 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.80 7.18 8.1917 0 0 1 12.15 1.18 7.2858 1 0 0 18.52 45.95 4.7918 0 1 1 19.10 2.58 4.6477 1 0 1 19.34 1.98 4.5889 1 1 0 19.82 5.91 4.4794 -1 1 1 20.51 1.65 4.3298 -1 0 2 21.70 8.56 4.0958 0 0 2 22.70 9.62 3.9178 -2 0 1 24.37 25.04 3.6529 1 1 1 24.43 5.24 3.6429 2 0 0 25.51 1.38 3.4923 -1 1 2 25.94 9.17 3.4350 -2 0 2 26.48 12.86 3.3660 0 1 2 27.31 100.00 3.2651 -2 1 1 28.73 17.60 3.1075 1 0 2 30.09 19.20 2.9696 -2 1 2 30.26 33.36 2.9540 0 2 0 30.35 37.49 2.9450 -1 0 3 30.36 4.86 2.9442 2 0 1 32.21 9.54 2.7788 0 2 1 32.56 40.74 2.7503 1 1 2 32.71 7.37 2.7375 1 2 0 32.80 2.45 2.7306 0 0 3 32.80 1.58 2.7302 -2 0 3 33.01 4.58 2.7138 -1 2 1 34.01 6.18 2.6357 -1 1 3 34.02 15.29 2.6351 2 1 1 36.03 1.33 2.4931 1 2 1 36.25 6.59 2.4784 -2 1 3 36.83 6.84 2.4402 -1 2 2 37.02 8.62 2.4286 3 0 0 37.54 4.84 2.3959 0 2 2 37.68 2.33 2.3875 -3 1 1 39.27 23.44 2.2944 2 2 0 39.34 4.69 2.2904 1 0 3 39.35 1.25 2.2900 -3 0 3 40.27 3.60 2.2397 -2 2 2 41.72 1.30 2.1649 -2 0 4 42.21 3.35 2.1410 1 2 2 42.32 1.70 2.1356 1 1 3 42.61 2.98 2.1219 3 0 1 43.39 16.46 2.0856 -1 2 3 43.96 11.43 2.0597 -1 1 4 45.23 7.63 2.0050 -2 2 3 45.42 8.21 1.9970 3 1 1 46.35 6.43 1.9589 -4 0 2 46.42 1.04 1.9560 -3 2 1 47.48 4.38 1.9148 0 3 1 48.53 2.09 1.8760 3 2 0 48.60 6.10 1.8735 -4 0 3 48.70 14.24 1.8699 -3 1 4 48.99 2.58 1.8594 -4 1 2 49.49 4.05 1.8419 -4 1 1 50.08 4.02 1.8215 4 0 0 50.32 2.57 1.8133 1 3 1 50.42 7.28 1.8101 1 2 3 50.42 2.66 1.8099 -3 2 3 51.49 1.77 1.7748 0 3 2 51.97 11.08 1.7595 -2 3 1 52.46 1.81 1.7444 -1 0 5 52.84 1.71 1.7326 3 1 2 53.10 7.56 1.7248 1 1 4 53.15 7.34 1.7234 3 2 1 53.34 1.24 1.7175 -4 0 4 53.65 2.71 1.7085 -2 3 2 54.52 1.48 1.6830 0 2 4 54.59 2.66 1.6812 -3 0 5 55.22 6.99 1.6634 1 3 2 55.74 2.04 1.6492 -4 1 4 56.09 1.23 1.6397 -3 2 4 56.14 1.89 1.6383 0 0 5 56.19 1.24 1.6370 -1 3 3 56.19 1.83 1.6369 2 3 1 56.36 7.97 1.6326 -4 2 2 56.81 1.05 1.6207 -4 2 1 56.95 1.16 1.6170 -3 1 5 58.32 2.01 1.5821 -4 2 3 59.68 3.42 1.5492 3 0 3 59.88 3.12 1.5447 3 2 2 60.19 1.12 1.5374 -5 0 1 61.73 2.18 1.5027 2 1 4 61.76 6.17 1.5021 -1 2 5 62.42 2.41 1.4878 -5 1 1 62.93 5.94 1.4770 0 4 0 63.14 1.26 1.4725 -2 0 6 63.42 2.22 1.4666 -1 3 4 64.56 2.13 1.4434 3 3 1 65.31 1.16 1.4288 -2 1 6 66.04 1.08 1.4148 5 1 0 66.71 2.55 1.4020 -3 1 6 67.19 4.36 1.3932 -3 3 4 67.84 1.34 1.3815 -4 3 1 68.20 1.57 1.3751 2 2 4 68.37 2.21 1.3720 3 2 3 70.61 1.58 1.3340 1 4 2 70.85 2.60 1.3300 1 3 4 71.45 3.89 1.3203 -1 4 3 71.71 1.58 1.3162 5 1 1 72.30 2.16 1.3068 5 2 0 74.40 1.94 1.2752 -6 1 3 75.31 1.22 1.2619 3 4 0 76.44 1.83 1.2461 -6 1 4 76.46 3.21 1.2458 -5 2 5 79.50 1.16 1.2056 2 2 5 80.38 1.13 1.1946 4 2 3 81.64 1.31 1.1793 -4 4 2 82.94 1.16 1.1641 -3 3 6 83.31 1.41 1.1599 -4 4 3 84.38 1.77 1.1479 0 1 7 85.92 2.00 1.1313 -2 5 1 88.54 1.01 1.1045 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.