Ondrusite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141029 Sejkora J, Plasil J, Veselovsky F, Cisarova I, Hlousek J The Canadian Mineralogist 49 (2011) 885-897 Ondrusite, CaCu4(AsO4)2(AsO3OH)2*10H2O, a new mineral species from the Jachymov ore district, Czech Republic: Description and crystal-structure determination Locality: Jachymov (St. Joachimsthal) ore district, Czech Republic _database_code_amcsd 0018389 CELL PARAMETERS: 6.4390 7.9830 10.8200 85.840 81.640 84.920 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.50000 0.00000 0.00000 1.000 2.613 Cu 0.38910 0.36670 0.44060 1.000 1.990 Cu 0.89360 -0.07450 0.40596 1.000 1.942 As -0.08720 0.38181 0.37135 1.000 1.824 As 0.41540 -0.01774 0.34141 1.000 1.761 O -0.00490 0.51650 0.25470 1.000 2.763 O -0.32840 0.43510 0.45410 1.000 2.053 O 0.09000 0.32780 0.46680 1.000 1.737 O -0.12840 0.20350 0.30260 1.000 2.211 O 0.39350 -0.09170 0.20400 1.000 2.132 O 0.18370 -0.03740 0.43710 1.000 1.816 O 0.60610 -0.13210 0.40650 1.000 2.369 O 0.46680 0.18760 0.31800 1.000 2.132 Wa 0.98050 -0.15260 0.23690 1.000 2.527 Wa 0.41400 0.54580 0.23660 1.000 3.316 Wa 0.79800 0.10200 0.04840 1.000 4.343 Wa 0.32000 0.24810 0.06670 1.000 4.422 Wa 0.23300 0.54390 0.93370 1.000 4.106 H -0.26870 0.22240 0.27850 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 72.19074064 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.27 100.00 10.6854 0 0 1 11.15 4.68 7.9371 0 1 0 13.49 1.03 6.5647 0 1 1 14.30 1.70 6.1946 0 -1 1 16.59 1.72 5.3427 0 0 2 17.18 1.94 5.1617 1 1 0 19.83 1.70 4.4780 1 -1 1 20.59 1.39 4.3128 0 -1 2 22.40 6.78 3.9685 0 2 0 23.44 1.95 3.7960 0 2 1 24.12 2.24 3.6899 1 -1 2 24.39 7.67 3.6488 0 -2 1 25.00 4.13 3.5618 0 0 3 25.86 1.95 3.4456 -1 1 2 27.17 6.13 3.2824 0 2 2 28.07 5.82 3.1785 0 -1 3 28.10 2.19 3.1753 2 0 0 28.18 2.42 3.1671 2 0 1 28.51 1.59 3.1303 1 -2 1 28.82 5.39 3.0973 0 -2 2 29.46 1.72 3.0320 2 1 0 30.25 3.60 2.9547 1 -1 3 30.47 10.92 2.9338 -2 0 1 30.68 7.71 2.9145 2 0 2 31.90 1.19 2.8054 1 -2 2 32.37 2.70 2.7659 -1 1 3 32.66 1.17 2.7420 -1 -1 3 32.75 6.79 2.7343 0 2 3 33.88 1.03 2.6457 0 3 0 34.48 4.99 2.6013 2 2 1 34.85 1.03 2.5744 0 -2 3 35.13 2.58 2.5543 2 0 3 35.44 2.81 2.5326 0 -3 1 36.26 2.15 2.4772 2 2 2 37.65 2.25 2.3890 -2 2 0 38.38 1.80 2.3455 -1 -2 3 39.20 1.07 2.2980 -2 2 1 39.51 2.22 2.2810 0 2 4 40.32 1.29 2.2368 -1 -1 4 43.27 1.29 2.0909 1 1 5 46.01 1.28 1.9725 0 4 1 48.45 1.57 1.8787 -2 -3 2 56.33 1.00 1.6332 1 -4 3 57.48 1.90 1.6034 4 0 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.