Moorhouseite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130745 Elerman Y Acta Crystallographica C44 (1988) 599-601 Refinement of the crystal structure of CoSO4*6H2O Locality: synthetic _database_code_amcsd 0010070 CELL PARAMETERS: 10.0790 7.2500 24.3720 90.000 98.420 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Co 0.00000 0.00000 0.00000 1.000 1.642 Co 0.00000 0.94810 0.25000 1.000 1.413 S 0.86850 0.45200 0.12450 1.000 1.729 O 0.77420 0.60300 0.13490 1.000 2.258 O 0.98210 0.44620 0.16960 1.000 3.379 O 0.91640 0.49770 0.07040 1.000 2.921 O 0.79880 0.27290 0.11910 1.000 2.416 O 0.59650 0.72340 0.04520 1.000 2.408 O 0.53480 0.32950 0.06820 1.000 3.387 O 0.30800 0.55400 0.02150 1.000 3.316 O 0.88410 0.15750 0.28120 1.000 2.377 O 0.88700 0.74450 0.28200 1.000 3.000 O 0.85890 0.95060 0.17860 1.000 2.977 H 0.64100 0.69700 0.07600 1.000 1.895 H 0.56400 0.79500 0.05300 1.000 1.974 H 0.48700 0.21000 0.06400 1.000 1.816 H 0.58600 0.32200 0.09000 1.000 4.027 H 0.26700 0.50200 0.00100 1.000 3.316 H 0.30000 0.62300 0.04600 1.000 2.685 H 0.81500 0.15000 0.27000 1.000 5.606 H 0.90400 0.28500 0.28800 1.000 3.237 H 0.81200 0.71800 0.28400 1.000 4.501 H 0.90700 0.85000 0.29600 1.000 3.237 H 0.84500 0.06900 0.17200 1.000 1.816 H 0.79000 0.93000 0.20100 1.000 4.422 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 6 +/- 22 MAX. ABS. INTENSITY / VOLUME**2: 9.640050341 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.70 6.33 6.0273 0 0 4 15.11 24.86 5.8637 1 1 0 15.86 2.54 5.5881 1 1 1 16.23 19.04 5.4612 -1 1 2 17.38 16.87 5.1029 1 1 2 17.79 19.45 4.9852 2 0 0 17.94 1.41 4.9439 -1 1 3 18.23 12.57 4.8652 -2 0 2 19.49 4.54 4.5538 1 1 3 20.20 100.00 4.3964 -1 1 4 20.25 10.12 4.3856 2 0 2 21.40 17.77 4.1516 -2 0 4 22.04 54.77 4.0329 1 1 4 22.85 5.16 3.8924 -1 1 5 24.56 13.06 3.6250 0 2 0 24.79 14.24 3.5918 2 0 4 24.84 3.55 3.5847 0 2 1 25.78 7.54 3.4563 -1 1 6 26.37 6.18 3.3796 -2 0 6 27.98 7.49 3.1890 1 1 6 28.91 1.68 3.0882 -1 1 7 29.30 2.27 3.0482 -3 1 1 29.51 4.95 3.0271 -3 1 2 29.57 6.07 3.0212 3 1 0 29.64 4.93 3.0137 0 0 8 30.19 4.92 2.9607 -3 1 3 30.39 6.90 2.9409 -2 2 1 30.49 6.30 2.9318 2 2 0 30.55 13.57 2.9261 2 0 6 30.76 16.42 2.9068 -2 2 2 31.04 1.95 2.8808 2 2 1 31.30 5.36 2.8575 -3 1 4 31.57 2.69 2.8340 -2 2 3 32.03 7.60 2.7941 2 2 2 32.21 1.07 2.7795 -1 1 8 32.39 2.64 2.7645 -2 0 8 32.80 1.82 2.7306 -2 2 4 32.82 2.50 2.7288 -3 1 5 33.29 5.72 2.6916 0 2 6 33.42 2.41 2.6809 2 2 3 34.62 7.41 2.5912 1 1 8 35.17 1.83 2.5515 2 2 4 35.63 3.02 2.5200 -1 1 9 35.70 3.70 2.5151 -4 0 2 36.34 1.65 2.4719 -2 2 6 36.87 1.17 2.4377 -3 1 7 36.95 2.70 2.4326 -4 0 4 38.86 5.46 2.3174 0 2 8 39.16 1.93 2.3006 -1 1 10 39.32 9.72 2.2916 -3 1 8 39.58 2.05 2.2769 2 2 6 39.60 3.87 2.2756 -1 3 3 39.64 2.73 2.2738 3 1 6 40.75 5.12 2.2144 -1 3 4 41.06 3.79 2.1982 -2 2 8 41.75 2.36 2.1633 1 3 4 42.21 1.64 2.1408 -1 3 5 43.43 1.14 2.0834 1 3 5 43.60 2.19 2.0758 -4 0 8 43.77 1.92 2.0683 -2 2 9 44.09 1.95 2.0539 4 2 0 44.87 5.26 2.0200 -4 2 4 44.95 2.35 2.0165 2 2 8 45.24 9.34 2.0044 3 1 8 45.40 2.82 1.9979 1 3 6 45.89 3.47 1.9776 -4 2 5 46.18 1.11 1.9659 -2 0 12 46.78 1.33 1.9418 -5 1 2 46.96 1.54 1.9348 3 3 1 46.96 1.20 1.9347 4 2 3 47.28 3.40 1.9227 5 1 0 47.57 2.11 1.9115 -5 1 4 47.66 1.94 1.9081 -3 3 4 48.30 2.23 1.8843 -1 3 8 48.52 8.77 1.8762 4 2 4 48.74 3.82 1.8683 -3 3 5 48.90 1.03 1.8627 3 3 3 49.19 5.92 1.8524 1 1 12 49.75 1.30 1.8328 -2 2 11 50.05 2.44 1.8223 1 3 8 50.34 1.77 1.8125 0 4 0 50.50 2.51 1.8074 0 4 1 50.68 1.42 1.8014 -4 2 8 51.47 4.43 1.7755 2 0 12 51.75 2.50 1.7665 -3 3 7 51.92 2.05 1.7612 5 1 4 52.04 3.47 1.7573 0 2 12 52.73 3.43 1.7358 -5 1 8 52.99 2.87 1.7282 -2 2 12 53.65 2.50 1.7084 -3 3 8 53.76 1.17 1.7052 -2 4 1 54.29 2.90 1.6898 -4 0 12 54.50 1.48 1.6836 -2 4 3 58.45 1.23 1.5790 3 3 8 59.82 1.02 1.5461 -5 3 1 60.16 2.05 1.5381 5 3 0 60.44 1.75 1.5316 -4 2 12 61.37 1.48 1.5106 6 2 0 61.54 1.22 1.5068 0 0 16 62.07 1.31 1.4952 6 2 1 63.60 1.07 1.4631 4 0 12 65.43 1.93 1.4264 -3 1 16 65.69 1.16 1.4213 6 2 4 66.42 1.68 1.4074 1 5 3 67.29 1.51 1.3914 0 2 16 69.72 1.55 1.3488 5 3 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.