Dolerophanite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060139 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: 9.3710 6.3320 7.6310 90.000 122.340 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: 30.17302435 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.73 81.64 6.4473 0 0 1 17.94 7.05 4.9451 1 1 0 18.61 23.39 4.7678 -1 1 1 19.02 8.04 4.6651 -2 0 1 22.46 1.44 3.9587 2 0 0 24.57 86.66 3.6226 -2 0 2 26.12 9.16 3.4118 1 1 1 27.67 4.01 3.2237 0 0 2 28.19 10.36 3.1660 0 2 0 31.48 18.08 2.8419 0 2 1 32.24 1.54 2.7768 -3 1 1 32.25 42.22 2.7758 2 0 1 33.41 3.98 2.6823 -3 1 2 34.23 100.00 2.6197 -2 2 1 35.29 26.70 2.5436 -2 0 3 36.33 11.71 2.4725 2 2 0 36.90 1.38 2.4360 3 1 0 37.74 6.84 2.3839 -2 2 2 38.08 3.07 2.3633 1 1 2 38.60 3.96 2.3326 -4 0 2 39.76 2.78 2.2673 -1 1 3 39.86 15.82 2.2619 -4 0 1 39.91 28.85 2.2588 0 2 2 39.95 16.14 2.2565 -3 1 3 42.04 2.89 2.1491 0 0 3 44.42 6.30 2.0394 1 3 0 44.72 2.02 2.0264 -1 3 1 44.75 18.51 2.0250 2 0 2 45.84 2.11 1.9794 4 0 0 45.86 7.27 1.9786 3 1 1 48.65 1.14 1.8717 1 3 1 49.48 1.67 1.8420 -1 3 2 50.12 5.37 1.8199 -3 1 4 50.38 1.11 1.8113 -4 0 4 50.87 1.86 1.7949 -5 1 2 51.39 6.21 1.7781 0 2 3 51.71 21.08 1.7677 -4 2 3 51.73 2.54 1.7670 1 1 3 53.68 1.56 1.7074 -5 1 1 54.69 13.27 1.6784 4 2 0 55.77 2.28 1.6484 3 3 0 56.63 3.71 1.6253 1 3 2 56.81 2.36 1.6205 -2 2 4 57.15 9.50 1.6118 0 0 4 57.52 6.71 1.6023 -5 1 4 57.60 4.12 1.6003 3 1 2 58.04 3.52 1.5893 -3 3 3 58.29 13.58 1.5830 0 4 0 58.73 11.28 1.5722 -4 2 4 59.44 1.77 1.5550 -6 0 3 60.19 2.88 1.5373 0 4 1 60.24 1.16 1.5362 5 1 0 61.31 2.21 1.5119 -4 0 5 62.66 1.85 1.4825 3 3 1 62.71 1.06 1.4816 -3 1 5 62.76 3.08 1.4806 -6 0 4 63.27 10.47 1.4698 4 2 1 64.21 5.45 1.4506 -2 4 2 66.50 5.82 1.4060 2 2 3 66.78 2.15 1.4008 1 1 4 67.46 15.10 1.3884 -6 2 2 67.53 1.02 1.3870 1 3 3 68.20 7.49 1.3751 2 4 1 68.83 4.44 1.3640 -1 1 5 69.52 1.06 1.3522 -6 0 5 69.93 1.32 1.3452 5 1 1 70.00 5.75 1.3440 -2 4 3 70.13 3.82 1.3418 -2 2 5 71.36 2.75 1.3218 -6 2 1 71.50 2.03 1.3196 6 0 0 72.11 2.45 1.3098 -4 4 2 72.55 1.31 1.3030 -5 3 4 72.62 3.40 1.3019 3 3 2 72.94 4.92 1.2969 -4 4 1 73.43 1.67 1.2895 0 0 5 76.36 3.64 1.2471 2 4 2 76.63 1.14 1.2435 -6 2 5 80.96 2.20 1.1875 1 3 4 82.88 2.32 1.1648 -1 3 5 86.09 3.09 1.1294 0 4 4 89.68 1.42 1.0933 -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.