Botallackite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080012 Hawthorne F C Mineralogical Magazine 49 (1985) 87-89 Refinement of the crystal structure of botallackite Locality: Botallack mine, Cornwall, England CELL PARAMETERS: 5.7250 6.1220 5.6270 90.000 93.010 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.49140 0.25000 -0.00530 1.000 0.687 Cu 0.50000 0.00000 0.50000 1.000 0.726 Cl 0.13390 0.25000 0.29740 1.000 1.255 O 0.66860 0.25000 0.62490 1.000 1.026 O 0.64150 0.00760 0.18320 1.000 1.026 H 0.77600 0.25000 0.53300 1.000 0.395 H 0.73400 0.04200 0.16900 1.000 0.395 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 72.32971530 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.50 100.00 5.7171 1 0 0 21.46 2.39 4.1397 0 1 1 26.08 1.50 3.4164 -1 1 1 27.08 3.55 3.2931 1 1 1 31.29 10.87 2.8586 2 0 0 31.85 5.96 2.8096 0 0 2 33.20 1.92 2.6986 1 2 0 33.33 14.12 2.6881 0 2 1 34.45 2.14 2.6037 -2 0 1 34.63 2.28 2.5901 2 1 0 34.83 23.55 2.5757 -1 0 2 35.99 1.36 2.4954 2 0 1 36.36 4.71 2.4707 1 0 2 36.58 5.53 2.4565 -1 2 1 37.32 37.03 2.4094 1 2 1 43.99 8.16 2.0585 -2 0 2 45.75 11.33 1.9833 -2 2 1 46.49 4.24 1.9532 2 0 2 46.98 11.71 1.9341 2 2 1 47.72 3.57 1.9057 3 0 0 56.94 2.94 1.6171 -3 0 2 57.70 9.73 1.5977 0 2 3 58.68 3.48 1.5734 -3 2 1 59.36 5.37 1.5569 -1 2 3 60.08 1.40 1.5400 3 0 2 60.23 6.49 1.5365 3 2 1 60.49 4.62 1.5305 0 4 0 60.90 3.41 1.5212 1 2 3 62.86 3.55 1.4784 1 4 0 65.66 1.74 1.4220 -2 2 3 66.57 1.32 1.4048 0 0 4 68.56 2.73 1.3688 2 2 3 69.69 1.85 1.3493 2 4 0 69.77 1.65 1.3479 1 0 4 70.00 1.14 1.3440 0 4 2 71.74 3.81 1.3157 -1 4 2 72.62 1.44 1.3018 -4 0 2 72.67 1.22 1.3011 1 4 2 73.54 1.15 1.2878 -2 0 4 74.38 2.81 1.2753 -4 2 1 75.99 1.92 1.2523 -3 2 3 76.23 1.97 1.2490 4 2 1 76.32 1.63 1.2477 4 0 2 77.76 2.02 1.2282 -2 4 2 79.57 1.41 1.2047 2 4 2 80.49 1.31 1.1933 3 4 0 87.82 1.26 1.1116 -3 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.