Bobkingite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141030 Hawthorne F C, Cooper M A, Grice J D, Roberts A C, Hubbard N Mineralogical Magazine 66 (2002) 301-311 Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2, a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK Locality: New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK _database_code_amcsd 0018486 CELL PARAMETERS: 10.1960 6.7400 8.8210 90.000 111.150 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.50000 0.00000 1.000 0.790 Cu 0.46706 0.50000 0.32367 1.000 1.066 Cu 0.25000 0.25000 0.00000 1.000 0.916 Cl 0.18350 0.50000 0.21290 1.000 1.287 O 0.44690 0.31040 0.14560 1.000 1.098 O 0.26610 0.50000 -0.10320 1.000 1.405 O 0.50000 0.31270 0.50000 1.000 1.769 Wa 0.19310 0.50000 0.56690 1.000 3.269 H 0.51200 0.19900 0.17000 1.000 2.369 H 0.25400 0.50000 -0.21900 1.000 2.369 H 0.43700 0.19900 0.47000 0.500 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 29.50152085 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.75 80.89 8.2268 0 0 1 16.12 100.00 5.4988 1 1 0 17.43 2.87 5.0884 -1 1 1 17.86 30.36 4.9652 -2 0 1 18.66 1.17 4.7546 2 0 0 21.23 8.26 4.1859 1 1 1 21.60 7.93 4.1134 0 0 2 22.92 1.50 3.8796 -2 0 2 24.78 4.26 3.5930 2 0 1 26.45 7.85 3.3700 0 2 0 28.62 11.10 3.1185 0 2 1 29.44 7.32 3.0338 -3 1 1 31.18 45.43 2.8684 3 1 0 32.10 11.94 2.7884 -2 2 1 32.57 10.00 2.7494 2 2 0 32.65 6.15 2.7423 0 0 3 33.33 39.83 2.6882 -1 1 3 33.56 5.77 2.6704 2 0 2 34.40 13.65 2.6068 0 2 2 35.28 23.14 2.5442 -2 2 2 36.18 3.22 2.4826 -4 0 2 36.38 2.33 2.4694 3 1 1 36.56 5.09 2.4580 2 2 1 37.84 20.96 2.3773 4 0 0 39.67 1.57 2.2720 1 1 3 40.25 11.60 2.2404 -4 0 3 41.05 2.88 2.1988 -2 0 4 41.29 1.75 2.1865 1 3 0 41.37 35.77 2.1826 -2 2 3 43.26 12.07 2.0914 4 0 1 44.03 2.21 2.0567 0 0 4 44.66 6.44 2.0291 -4 2 1 46.80 5.20 1.9413 -5 1 2 48.81 3.07 1.8657 -4 2 3 49.34 3.78 1.8471 -5 1 3 49.50 1.32 1.8415 -2 2 4 49.74 5.52 1.8329 3 3 0 50.82 2.88 1.7965 4 0 2 51.23 17.35 1.7832 -1 3 3 51.76 22.40 1.7661 2 2 3 51.83 1.18 1.7640 -2 0 5 53.22 2.43 1.7212 3 1 3 54.07 2.19 1.6961 -3 3 3 54.45 9.87 1.6850 0 4 0 54.48 1.31 1.6842 -3 1 5 54.59 4.64 1.6812 -4 2 4 54.90 3.06 1.6724 -6 0 1 55.05 1.47 1.6681 5 1 1 55.26 1.84 1.6624 -4 0 5 55.68 1.93 1.6507 0 4 1 55.92 2.42 1.6444 1 3 3 57.78 1.38 1.5956 -2 4 1 58.19 2.15 1.5853 4 2 2 59.32 1.46 1.5578 3 3 2 60.00 1.06 1.5419 4 0 3 61.09 5.51 1.5169 -6 2 2 61.62 2.63 1.5051 -5 3 2 61.70 3.74 1.5033 2 2 4 61.94 1.08 1.4980 -6 2 1 62.52 2.59 1.4856 -6 2 3 63.47 1.53 1.4658 -2 0 6 63.71 1.26 1.4608 3 1 4 63.75 2.44 1.4599 -5 3 3 64.96 3.53 1.4356 0 4 3 65.03 3.99 1.4342 6 2 0 65.12 2.72 1.4324 -3 1 6 65.13 2.15 1.4323 -4 0 6 65.50 1.93 1.4250 2 4 2 66.30 1.01 1.4098 -7 1 3 66.50 1.69 1.4060 2 0 5 67.08 1.59 1.3953 3 3 3 67.11 1.25 1.3947 -7 1 1 67.14 1.37 1.3942 -4 4 2 68.22 3.96 1.3747 4 4 0 68.42 2.22 1.3711 0 0 6 69.85 4.93 1.3466 -4 4 3 70.00 5.16 1.3441 -2 2 6 70.01 2.02 1.3439 -5 1 6 70.20 2.11 1.3407 6 2 1 70.40 1.06 1.3374 -2 4 4 70.57 1.82 1.3347 1 5 0 71.82 3.06 1.3144 -6 2 5 71.96 3.38 1.3121 4 4 1 72.52 1.03 1.3034 0 4 4 74.70 1.77 1.2707 -8 0 2 74.77 2.42 1.2697 1 1 6 76.38 1.20 1.2468 7 1 1 76.85 2.24 1.2405 3 5 0 78.02 1.46 1.2247 -1 5 3 79.36 2.01 1.2074 -6 2 6 82.88 1.89 1.1648 -8 2 4 85.47 1.26 1.1360 2 2 6 89.69 1.24 1.0932 2 6 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.