Dolerophanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070652 Effenberger H Monatshefte fur Chemie 116 (1985) 927-931 Cu2O(SO4), dolerophanite: Refinement of the crystal structure with a comparison of [OCu(II)4] tetrahedra in inorganic compounds Locality: synthetic CELL PARAMETERS: 9.3800 6.3300 7.6300 90.000 122.350 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.25000 0.25000 0.00000 1.000 0.711 Cu 0.07210 0.00000 0.21820 1.000 0.790 S 0.10240 0.50000 0.31570 1.000 0.632 O 0.20380 0.50000 0.22320 1.000 1.500 O 0.29470 0.00000 0.45930 1.000 1.105 O 0.15140 0.00000 0.02170 1.000 0.632 O 0.49160 0.19060 0.24980 1.000 0.947 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 30.15497120 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.74 81.58 6.4458 0 0 1 17.94 7.05 4.9457 1 1 0 18.61 23.38 4.7674 -1 1 1 19.01 8.06 4.6693 -2 0 1 22.44 1.45 3.9621 2 0 0 24.57 86.69 3.6234 -2 0 2 26.12 9.16 3.4119 1 1 1 27.68 4.01 3.2229 0 0 2 28.20 10.35 3.1650 0 2 0 31.49 18.06 2.8410 0 2 1 32.21 1.55 2.7789 -3 1 1 32.24 42.26 2.7770 2 0 1 33.39 3.99 2.6837 -3 1 2 34.23 100.00 2.6199 -2 2 1 35.29 26.69 2.5432 -2 0 3 36.33 11.71 2.4729 2 2 0 36.87 1.38 2.4377 3 1 0 37.74 6.84 2.3837 -2 2 2 38.08 3.07 2.3632 1 1 2 38.56 3.97 2.3347 -4 0 2 39.77 2.78 2.2666 -1 1 3 39.81 15.87 2.2642 -4 0 1 39.92 28.82 2.2582 0 2 2 39.95 16.15 2.2569 -3 1 3 42.05 2.89 2.1486 0 0 3 44.43 6.29 2.0390 1 3 0 44.73 2.02 2.0259 -1 3 1 44.75 18.52 2.0253 2 0 2 45.80 2.12 1.9810 4 0 0 45.84 7.28 1.9795 3 1 1 48.66 1.14 1.8713 1 3 1 49.50 1.67 1.8414 -1 3 2 50.13 5.37 1.8198 -3 1 4 50.37 1.11 1.8117 -4 0 4 50.82 1.86 1.7965 -5 1 2 51.40 6.20 1.7777 0 2 3 51.70 21.10 1.7682 -4 2 3 51.74 2.54 1.7668 1 1 3 53.63 1.56 1.7090 -5 1 1 54.66 13.29 1.6792 4 2 0 55.76 2.28 1.6486 3 3 0 56.64 3.71 1.6250 1 3 2 56.83 2.36 1.6201 -2 2 4 57.16 9.49 1.6114 0 0 4 57.49 6.72 1.6030 -5 1 4 57.58 4.12 1.6007 3 1 2 58.04 3.52 1.5891 -3 3 3 58.31 13.56 1.5825 0 4 0 58.72 11.28 1.5723 -4 2 4 59.38 1.77 1.5564 -6 0 3 60.19 1.16 1.5374 5 1 0 60.21 2.87 1.5369 0 4 1 61.31 2.21 1.5119 -4 0 5 62.66 1.85 1.4827 3 3 1 62.71 3.09 1.4816 -6 0 4 62.72 1.06 1.4813 -3 1 5 63.24 10.48 1.4704 4 2 1 64.23 5.44 1.4502 -2 4 2 66.50 5.82 1.4060 2 2 3 66.79 2.15 1.4006 1 1 4 67.40 15.15 1.3894 -6 2 2 67.55 1.02 1.3867 1 3 3 68.21 7.48 1.3749 2 4 1 68.86 4.43 1.3636 -1 1 5 69.48 1.06 1.3528 -6 0 5 69.88 1.33 1.3461 5 1 1 70.03 5.75 1.3436 -2 4 3 70.16 3.81 1.3414 -2 2 5 71.29 2.76 1.3228 -6 2 1 71.43 2.03 1.3207 6 0 0 72.10 2.45 1.3099 -4 4 2 72.53 1.31 1.3032 -5 3 4 72.61 3.40 1.3020 3 3 2 72.93 4.92 1.2971 -4 4 1 73.45 1.67 1.2892 0 0 5 76.37 3.64 1.2470 2 4 2 76.60 1.15 1.2439 -6 2 5 80.98 2.20 1.1872 1 3 4 82.91 2.32 1.1645 -1 3 5 86.12 3.08 1.1291 0 4 4 89.69 1.42 1.0932 -4 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.