Chloroxiphite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060267 Finney J J, Graeber E J, Rosenzweig A, Hamilton R D Mineralogical Magazine 41 (1977) 357-361 The structure of chloroxiphite, Pb3CuO2(OH)2Cl2 Locality: Mendip Hills, Somerset, England CELL PARAMETERS: 10.4890 5.7780 6.7070 90.000 97.710 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.21670 0.25000 0.46060 1.000 1.430 Pb 0.55020 0.25000 0.34320 1.000 1.340 Pb 0.67410 0.25000 0.86730 1.000 1.350 Cu 0.00000 0.00000 0.00000 1.000 1.610 O 0.36600 0.00000 0.38600 1.000 1.320 OH 0.90700 0.25000 0.83200 1.000 1.370 OH 0.12600 0.25000 0.08600 1.000 1.720 Cl 0.37800 0.25000 0.86800 1.000 1.680 Cl 0.88600 0.25000 0.32100 1.000 2.440 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 103.8080659 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.51 75.43 10.3942 1 0 0 13.32 9.30 6.6464 0 0 1 14.83 33.09 5.9751 -1 0 1 16.77 1.02 5.2868 1 0 1 17.06 2.04 5.1971 2 0 0 17.56 1.82 5.0502 1 1 0 20.23 2.43 4.3898 -2 0 1 20.37 3.68 4.3606 0 1 1 21.39 28.82 4.1536 -1 1 1 22.80 49.58 3.9005 1 1 1 23.02 50.98 3.8640 2 1 0 23.10 2.55 3.8510 2 0 1 25.48 20.79 3.4954 -2 1 1 26.83 3.25 3.3232 0 0 2 27.05 17.77 3.2962 -1 0 2 27.39 5.20 3.2566 -3 0 1 27.84 7.02 3.2045 2 1 1 29.91 17.65 2.9876 -2 0 2 30.07 28.36 2.9714 3 1 0 30.66 48.89 2.9161 3 0 1 30.95 51.54 2.8890 0 2 0 31.04 82.43 2.8807 0 1 2 31.53 100.00 2.8370 -3 1 1 32.16 17.31 2.7835 1 2 0 33.22 55.26 2.6965 1 1 2 33.83 7.31 2.6495 0 2 1 34.81 4.09 2.5773 -3 0 2 35.36 1.56 2.5384 -4 0 1 35.41 6.32 2.5352 1 2 1 35.55 6.84 2.5251 2 2 0 37.41 1.37 2.4038 2 1 2 37.97 4.60 2.3699 4 1 0 38.75 7.53 2.3240 -4 1 1 38.87 12.98 2.3170 4 0 1 38.97 1.26 2.3110 2 2 1 40.03 2.77 2.2521 3 0 2 40.48 2.32 2.2286 -1 0 3 40.66 2.44 2.2188 3 2 0 41.13 4.83 2.1949 -4 0 2 41.57 5.72 2.1726 -1 2 2 42.14 11.50 2.1444 -2 0 3 42.86 5.28 2.1098 1 0 3 43.11 1.18 2.0984 3 1 2 43.14 1.89 2.0971 1 2 2 43.53 2.68 2.0793 -1 1 3 43.58 31.09 2.0768 -2 2 2 43.85 9.87 2.0645 -5 0 1 44.13 26.05 2.0524 3 2 1 44.14 3.03 2.0518 -4 1 2 45.54 3.62 1.9917 -3 0 3 46.68 8.72 1.9460 2 0 3 48.34 1.62 1.8830 -3 1 3 48.43 2.75 1.8794 -5 0 2 49.74 2.71 1.8331 -1 3 1 49.92 2.24 1.8267 4 1 2 50.26 2.53 1.8155 5 1 1 50.43 5.84 1.8097 1 3 1 50.49 22.21 1.8075 4 2 1 50.54 6.09 1.8060 2 3 0 51.45 8.47 1.7762 3 2 2 51.84 2.71 1.7637 -2 3 1 52.02 2.39 1.7580 0 2 3 52.35 1.58 1.7477 -4 2 2 52.79 5.76 1.7341 -6 0 1 53.02 5.07 1.7273 -4 1 3 53.17 1.05 1.7226 2 3 1 53.19 7.27 1.7219 -2 2 3 53.80 7.80 1.7038 1 2 3 54.43 5.59 1.6856 3 1 3 54.51 4.65 1.6834 3 3 0 54.64 13.41 1.6797 -5 2 1 55.11 13.93 1.6664 0 3 2 55.17 1.26 1.6648 5 0 2 55.29 1.40 1.6616 0 0 4 55.37 11.33 1.6594 6 1 0 55.42 17.24 1.6578 -3 3 1 56.09 9.82 1.6398 -3 2 3 56.52 10.53 1.6283 1 3 2 56.52 3.28 1.6283 -6 0 2 57.06 3.58 1.6140 2 2 3 57.23 9.29 1.6098 -1 1 4 57.32 7.58 1.6075 1 0 4 57.62 1.65 1.5998 5 1 2 58.21 7.20 1.5849 -2 1 4 58.91 11.47 1.5678 -5 1 3 59.09 8.18 1.5634 6 1 1 59.77 1.02 1.5473 4 3 0 60.32 1.83 1.5343 -4 3 1 60.61 13.04 1.5278 4 1 3 62.14 3.05 1.4938 -4 0 4 62.46 3.01 1.4868 -6 2 1 63.84 2.78 1.4581 6 0 2 64.51 8.39 1.4445 0 4 0 64.72 2.76 1.4404 0 2 4 64.83 3.97 1.4382 7 1 0 65.84 5.56 1.4185 -6 2 2 66.57 4.69 1.4047 1 2 4 67.45 1.23 1.3885 -3 2 4 69.44 1.71 1.3535 -5 1 4 71.04 1.48 1.3269 -4 2 4 71.28 1.78 1.3230 -1 4 2 71.53 1.79 1.3190 -4 3 3 71.60 1.91 1.3179 -7 0 3 72.63 1.32 1.3017 6 2 2 72.71 2.73 1.3005 -2 4 2 72.73 2.02 1.3002 3 3 3 72.91 1.82 1.2974 -2 1 5 73.11 6.19 1.2944 3 4 1 73.22 2.40 1.2926 7 0 2 73.53 4.20 1.2880 6 3 0 75.14 3.71 1.2644 -1 3 4 75.90 1.58 1.2536 -4 0 5 76.00 2.88 1.2522 -2 3 4 76.61 4.71 1.2437 -5 3 3 76.77 3.31 1.2416 6 3 1 76.91 4.36 1.2396 -8 1 2 77.94 2.71 1.2258 4 4 1 78.11 5.46 1.2235 4 3 3 78.34 1.59 1.2205 5 0 4 78.37 4.36 1.2201 2 1 5 79.35 1.51 1.2076 0 2 5 80.02 1.76 1.1991 -7 2 3 80.10 2.59 1.1980 -2 4 3 80.35 1.61 1.1950 -5 0 5 80.60 1.29 1.1919 1 4 3 81.17 1.71 1.1850 8 2 0 81.29 2.55 1.1836 -5 4 1 81.59 4.76 1.1799 7 2 2 81.92 1.83 1.1760 7 3 0 82.17 1.23 1.1731 6 2 3 82.49 1.10 1.1693 -3 4 3 83.31 2.44 1.1599 2 4 3 83.75 2.37 1.1549 9 0 0 84.19 3.11 1.1500 -4 2 5 86.14 1.03 1.1289 1 5 1 86.22 1.07 1.1280 2 5 0 86.58 1.57 1.1243 5 2 4 86.62 1.64 1.1239 4 0 5 87.21 1.77 1.1178 -9 1 2 87.25 1.21 1.1174 -1 0 6 87.99 2.03 1.1099 -6 4 1 88.04 1.06 1.1093 -6 1 5 88.55 1.18 1.1043 -5 2 5 89.01 1.11 1.0998 -7 2 4 89.25 1.56 1.0974 -8 0 4 89.87 2.75 1.0915 0 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.