Caledonite Schofield P F, Wilson C C, Knight K S, Kirk C A The Canadian Mineralogist 47 (2009) 649-662 Proton location and hydrogen bonding in the hydrous lead copper sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6 Locality: Leadhills, Lanarkshire, Scotland _database_code_amcsd 0006294 CELL PARAMETERS: 20.0850 7.1410 6.5630 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 941.311 Density (g/cm3): 5.691 MAX. ABS. INTENSITY / VOLUME**2: 77.30081522 RIR: 4.423 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.16 6.37 6.7284 1 1 0 4 14.20 32.04 6.2384 1 0 1 2 17.66 6.69 5.0212 4 0 0 2 18.16 11.25 4.8841 3 1 0 4 18.36 15.18 4.8322 0 1 1 2 18.89 34.10 4.6981 1 1 1 4 18.94 91.91 4.6867 3 0 1 2 20.40 3.50 4.3543 2 1 1 4 22.69 9.00 3.9182 3 1 1 4 24.94 12.73 3.5705 0 2 0 2 25.34 4.23 3.5154 1 2 0 4 25.44 3.74 3.5011 5 1 0 4 25.58 1.58 3.4818 4 1 1 4 26.01 30.49 3.4262 5 0 1 2 26.63 5.02 3.3475 6 0 0 2 27.17 47.37 3.2815 0 0 2 1 28.33 27.16 3.1505 3 2 0 4 28.46 100.00 3.1364 0 2 1 2 28.62 6.99 3.1192 2 0 2 2 28.81 1.17 3.0988 1 2 1 4 28.90 16.17 3.0890 5 1 1 4 29.47 61.46 3.0310 6 1 0 4 29.84 4.01 2.9938 2 2 1 4 29.97 6.31 2.9817 0 1 2 2 30.30 2.82 2.9494 1 1 2 4 31.29 12.32 2.8584 2 1 2 4 31.50 7.26 2.8402 3 2 1 4 32.54 43.28 2.7517 6 1 1 4 32.60 11.18 2.7469 4 0 2 2 32.88 1.87 2.7238 3 1 2 4 33.58 6.47 2.6687 5 2 0 4 33.69 16.00 2.6601 4 2 1 4 35.00 13.80 2.5638 4 1 2 4 35.76 3.90 2.5106 8 0 0 2 36.34 7.54 2.4721 5 2 1 4 36.42 3.59 2.4671 7 1 1 4 37.49 10.29 2.3988 1 2 2 4 37.57 1.51 2.3942 5 1 2 4 37.79 2.56 2.3803 0 3 0 2 37.99 1.43 2.3685 8 1 0 4 38.07 5.87 2.3638 1 3 0 4 38.32 4.12 2.3491 2 2 2 4 38.41 4.93 2.3434 6 0 2 2 39.37 6.88 2.2888 6 2 1 4 39.66 38.64 2.2726 3 2 2 4 40.21 6.97 2.2428 3 3 0 4 40.52 31.65 2.2265 6 1 2 4 41.48 5.27 2.1772 4 2 2 4 41.52 6.17 2.1748 1 0 3 2 42.44 12.96 2.1301 9 1 0 4 42.60 2.26 2.1223 3 3 1 4 42.80 1.60 2.1129 9 0 1 2 43.50 6.24 2.0805 1 1 3 4 43.52 7.81 2.0795 3 0 3 2 43.72 9.39 2.0704 5 2 2 4 43.79 1.61 2.0675 7 1 2 4 44.09 2.92 2.0537 8 2 0 4 44.23 3.79 2.0478 5 3 0 4 44.23 1.69 2.0478 2 1 3 4 44.32 3.62 2.0439 4 3 1 4 44.73 22.56 2.0260 9 1 1 4 45.43 2.92 1.9965 3 1 3 4 46.32 2.42 1.9600 8 2 1 4 46.35 1.05 1.9591 6 2 2 4 47.00 1.60 1.9335 10 1 0 4 47.06 1.36 1.9309 4 1 3 4 47.31 6.89 1.9212 5 0 3 2 47.40 5.60 1.9180 1 3 2 4 48.82 17.79 1.8654 0 2 3 2 48.96 30.22 1.8603 6 3 1 4 49.11 3.98 1.8553 5 1 3 4 49.12 3.92 1.8547 10 1 1 4 49.21 3.11 1.8516 3 3 2 4 49.31 1.37 1.8481 7 2 2 4 49.71 2.08 1.8340 2 2 3 4 50.75 2.40 1.7989 4 3 2 4 50.81 1.12 1.7969 3 2 3 4 51.12 7.58 1.7867 9 1 2 4 51.17 4.48 1.7852 0 4 0 2 51.52 7.84 1.7739 6 1 3 4 52.32 4.95 1.7486 4 2 3 4 52.61 1.38 1.7397 7 0 3 2 52.69 4.97 1.7373 5 3 2 4 53.09 2.16 1.7250 3 4 0 4 53.17 4.51 1.7227 0 4 1 2 53.38 1.08 1.7164 1 4 1 4 53.49 3.16 1.7131 10 0 2 2 53.66 3.67 1.7080 11 1 1 4 54.01 1.16 1.6979 2 4 1 4 54.22 1.72 1.6919 5 2 3 4 54.23 1.35 1.6914 10 2 1 4 54.27 2.41 1.6903 7 1 3 4 54.56 3.55 1.6821 4 4 0 4 54.85 5.30 1.6737 12 0 0 2 54.99 6.34 1.6699 6 3 2 4 55.04 8.63 1.6683 3 4 1 4 55.13 10.03 1.6658 10 1 2 4 56.05 8.42 1.6408 0 0 4 1 56.40 2.73 1.6314 5 4 0 4 56.47 2.38 1.6295 6 2 3 4 56.47 1.03 1.6294 4 4 1 4 56.53 8.29 1.6280 9 3 0 4 56.86 1.26 1.6193 2 0 4 2 57.63 1.29 1.5996 7 3 2 4 57.99 1.69 1.5904 2 3 3 4 58.35 1.94 1.5816 12 1 1 4 58.40 1.60 1.5802 9 3 1 4 58.60 3.49 1.5752 6 4 0 4 58.89 6.88 1.5682 0 4 2 2 59.25 1.52 1.5596 4 0 4 2 59.35 1.13 1.5571 11 1 2 4 59.89 3.26 1.5445 10 2 2 4 60.35 1.90 1.5337 4 3 3 4 60.65 3.10 1.5269 3 4 2 4 60.68 7.81 1.5261 9 1 3 4 60.79 1.77 1.5237 4 1 4 4 61.15 1.54 1.5155 12 2 0 4 61.98 1.18 1.4973 8 2 3 4 62.10 5.31 1.4947 10 3 1 4 62.27 2.30 1.4910 12 0 2 2 62.27 1.28 1.4909 0 2 4 2 62.47 2.87 1.4868 1 2 4 4 62.94 8.13 1.4766 12 2 1 4 63.18 1.02 1.4716 13 1 1 4 63.70 3.81 1.4608 5 4 2 4 63.77 4.54 1.4595 12 1 2 4 63.82 6.81 1.4584 9 3 2 4 63.98 3.63 1.4552 3 2 4 4 64.17 8.78 1.4514 6 3 3 4 64.30 1.36 1.4488 11 3 0 4 64.30 2.22 1.4487 10 1 3 4 64.59 8.38 1.4429 6 1 4 4 66.47 1.84 1.4065 14 1 0 4 66.95 2.76 1.3977 5 2 4 4 67.00 1.04 1.3968 7 1 4 4 67.25 1.56 1.3922 1 5 1 4 67.75 2.29 1.3831 0 4 3 2 67.93 1.14 1.3799 1 4 3 4 68.17 1.97 1.3755 11 1 3 4 68.67 1.37 1.3668 10 2 3 4 68.71 1.82 1.3662 3 5 1 4 69.38 2.71 1.3545 3 4 3 4 69.72 1.38 1.3487 8 1 4 4 69.77 2.07 1.3479 1 3 4 4 69.97 1.26 1.3446 4 5 1 4 70.23 2.53 1.3403 12 3 1 4 71.14 1.95 1.3253 11 3 2 4 71.29 1.39 1.3229 7 2 4 4 71.87 2.71 1.3136 6 5 0 4 71.97 5.28 1.3120 15 0 1 2 72.11 1.23 1.3098 1 0 5 2 72.25 1.84 1.3076 10 4 1 4 72.75 2.15 1.2998 9 1 4 4 73.51 1.41 1.2883 1 1 5 4 73.53 1.09 1.2881 3 0 5 2 74.04 2.43 1.2804 5 3 4 4 75.69 3.57 1.2566 10 3 3 4 75.89 3.18 1.2537 15 2 0 4 76.08 1.78 1.2510 10 1 4 4 76.32 1.32 1.2477 5 0 5 2 76.46 4.55 1.2458 12 2 3 4 77.47 2.53 1.2320 0 2 5 2 77.51 1.04 1.2315 15 2 1 4 77.69 1.75 1.2291 5 1 5 4 78.21 1.34 1.2222 7 3 4 4 78.30 1.18 1.2210 12 4 0 4 78.42 8.29 1.2195 6 5 2 4 79.31 1.24 1.2080 0 4 4 2 79.33 1.70 1.2077 14 3 1 4 79.59 1.59 1.2045 6 1 5 4 79.91 1.10 1.2004 12 4 1 4 80.23 2.27 1.1965 4 2 5 4 80.45 1.12 1.1938 1 5 3 4 81.31 4.68 1.1832 9 5 1 4 82.05 2.16 1.1745 4 4 4 4 82.22 1.54 1.1725 16 0 2 2 82.29 1.83 1.1717 12 0 4 2 82.33 5.41 1.1712 15 2 2 4 82.34 1.09 1.1711 0 6 1 2 82.83 1.58 1.1654 16 2 1 4 82.96 1.36 1.1639 10 5 0 4 83.58 1.33 1.1569 5 4 4 4 83.68 2.60 1.1557 9 3 4 4 83.87 1.69 1.1536 3 6 1 4 84.70 3.37 1.1444 12 4 2 4 84.91 2.25 1.1421 15 0 3 2 85.18 1.30 1.1392 10 4 3 4 85.44 1.26 1.1363 6 4 4 4 86.58 2.33 1.1243 5 6 1 4 86.95 1.22 1.1204 4 3 5 4 87.11 2.36 1.1189 0 6 2 2 87.24 1.27 1.1175 9 1 5 4 88.44 1.21 1.1054 6 6 1 4 89.30 1.15 1.0970 10 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.