Caledonite Giacovazzo C, Menchetti S, Scordari F Acta Crystallographica B29 (1973) 1986-1990 The crystal structure of caledonite, Cu2Pb5(SO4)3CO3(OH)6 _database_code_amcsd 0009484 CELL PARAMETERS: 20.0890 7.1460 6.5600 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 941.727 Density (g/cm3): 5.667 MAX. ABS. INTENSITY / VOLUME**2: 74.72469387 RIR: 4.293 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.15 7.01 6.7327 1 1 0 4 14.20 33.84 6.2359 1 0 1 2 17.66 6.47 5.0223 4 0 0 2 18.16 10.97 4.8863 3 1 0 4 18.36 16.41 4.8325 0 1 1 2 18.89 35.58 4.6985 1 1 1 4 18.94 97.38 4.6861 3 0 1 2 20.39 4.20 4.3547 2 1 1 4 22.69 9.68 3.9187 3 1 1 4 24.92 13.06 3.5730 0 2 0 2 25.32 4.68 3.5178 1 2 0 4 25.43 4.05 3.5022 5 1 0 4 25.58 1.86 3.4823 4 1 1 4 26.01 31.08 3.4262 5 0 1 2 26.62 5.00 3.3482 6 0 0 2 27.19 49.56 3.2800 0 0 2 1 28.31 28.38 3.1523 3 2 0 4 28.45 100.00 3.1378 0 2 1 2 28.63 6.28 3.1180 2 0 2 2 28.80 1.17 3.1002 1 2 1 4 28.90 16.23 3.0895 5 1 1 4 29.46 62.90 3.0319 6 1 0 4 29.83 4.03 2.9950 2 2 1 4 29.98 6.44 2.9810 0 1 2 2 30.31 3.06 2.9487 1 1 2 4 31.30 13.36 2.8578 2 1 2 4 31.49 7.31 2.8413 3 2 1 4 32.53 43.27 2.7522 6 1 1 4 32.61 11.27 2.7462 4 0 2 2 32.89 2.09 2.7233 3 1 2 4 33.56 6.51 2.6700 5 2 0 4 33.68 16.26 2.6611 4 2 1 4 35.00 13.81 2.5634 4 1 2 4 35.76 3.69 2.5111 8 0 0 2 36.33 8.20 2.4730 5 2 1 4 36.41 3.79 2.4675 7 1 1 4 37.49 10.49 2.3990 1 2 2 4 37.57 1.52 2.3940 5 1 2 4 37.77 2.50 2.3820 0 3 0 2 37.98 1.42 2.3691 8 1 0 4 38.04 6.11 2.3654 1 3 0 4 38.31 4.02 2.3492 2 2 2 4 38.42 5.04 2.3430 6 0 2 2 39.35 6.90 2.2895 6 2 1 4 39.65 39.57 2.2728 3 2 2 4 40.18 7.26 2.2442 3 3 0 4 40.52 32.63 2.2264 6 1 2 4 41.47 5.07 2.1774 4 2 2 4 41.54 5.82 2.1738 1 0 3 2 42.43 13.45 2.1306 9 1 0 4 42.58 2.15 2.1234 3 3 1 4 42.79 1.71 2.1131 9 0 1 2 43.52 6.88 2.0797 1 1 3 4 43.54 7.64 2.0786 3 0 3 2 43.72 9.28 2.0707 5 2 2 4 43.79 1.62 2.0675 7 1 2 4 44.08 2.96 2.0545 8 2 0 4 44.20 3.89 2.0490 5 3 0 4 44.25 1.75 2.0471 2 1 3 4 44.29 3.88 2.0450 4 3 1 4 44.72 22.79 2.0264 9 1 1 4 45.44 2.88 1.9959 3 1 3 4 46.31 2.10 1.9606 8 2 1 4 46.34 1.09 1.9593 6 2 2 4 46.98 1.61 1.9339 10 1 0 4 47.08 1.18 1.9303 4 1 3 4 47.33 6.58 1.9206 5 0 3 2 47.38 5.61 1.9186 1 3 2 4 48.83 18.40 1.8651 0 2 3 2 48.94 30.45 1.8612 6 3 1 4 49.11 4.23 1.8550 10 1 1 4 49.12 3.89 1.8548 5 1 3 4 49.19 3.46 1.8522 3 3 2 4 49.30 1.32 1.8484 7 2 2 4 49.72 1.93 1.8338 2 2 3 4 50.74 2.60 1.7994 4 3 2 4 50.82 1.07 1.7967 3 2 3 4 51.12 7.98 1.7867 9 1 2 4 51.13 4.39 1.7865 0 4 0 2 51.53 7.78 1.7735 6 1 3 4 52.33 5.04 1.7484 4 2 3 4 52.62 1.30 1.7393 7 0 3 2 52.67 5.11 1.7378 5 3 2 4 53.05 2.18 1.7261 3 4 0 4 53.13 4.31 1.7237 0 4 1 2 53.34 1.25 1.7174 1 4 1 4 53.49 2.96 1.7131 10 0 2 2 53.65 3.81 1.7084 11 1 1 4 53.97 1.28 1.6989 2 4 1 4 54.22 1.39 1.6919 10 2 1 4 54.22 1.73 1.6917 5 2 3 4 54.28 2.66 1.6900 7 1 3 4 54.52 3.65 1.6832 4 4 0 4 54.84 5.28 1.6741 12 0 0 2 54.97 6.30 1.6704 6 3 2 4 55.01 8.81 1.6693 3 4 1 4 55.13 9.87 1.6659 10 1 2 4 56.08 8.53 1.6400 0 0 4 1 56.36 2.79 1.6324 5 4 0 4 56.48 2.43 1.6294 6 2 3 4 56.50 8.17 1.6288 9 3 0 4 56.89 1.45 1.6186 2 0 4 2 57.61 1.34 1.6000 7 3 2 4 57.99 1.61 1.5905 2 3 3 4 58.33 2.04 1.5819 12 1 1 4 58.38 1.60 1.5808 9 3 1 4 58.56 3.41 1.5762 6 4 0 4 58.86 6.61 1.5689 0 4 2 2 59.27 1.38 1.5590 4 0 4 2 59.35 1.09 1.5573 11 1 2 4 59.88 3.32 1.5447 10 2 2 4 60.34 1.76 1.5339 4 3 3 4 60.62 3.17 1.5275 3 4 2 4 60.69 8.12 1.5260 9 1 3 4 60.81 2.32 1.5232 4 1 4 4 61.13 1.50 1.5159 12 2 0 4 61.98 1.24 1.4973 8 2 3 4 62.07 5.40 1.4953 10 3 1 4 62.26 2.33 1.4911 12 0 2 2 62.29 1.21 1.4905 0 2 4 2 62.48 2.66 1.4864 1 2 4 4 62.93 8.09 1.4770 12 2 1 4 63.17 1.05 1.4719 13 1 1 4 63.68 3.84 1.4614 5 4 2 4 63.76 4.42 1.4597 12 1 2 4 63.80 6.69 1.4588 9 3 2 4 64.00 3.83 1.4549 3 2 4 4 64.16 8.86 1.4516 6 3 3 4 64.27 1.36 1.4493 11 3 0 4 64.30 2.29 1.4486 10 1 3 4 64.61 8.30 1.4425 6 1 4 4 66.46 1.74 1.4068 14 1 0 4 66.96 2.50 1.3974 5 2 4 4 67.20 1.47 1.3931 1 5 1 4 67.73 2.25 1.3835 0 4 3 2 67.91 1.11 1.3802 1 4 3 4 68.18 1.92 1.3755 11 1 3 4 68.66 1.89 1.3670 3 5 1 4 68.67 1.33 1.3668 10 2 3 4 69.36 2.65 1.3549 3 4 3 4 69.74 1.46 1.3484 8 1 4 4 69.78 2.07 1.3478 1 3 4 4 69.92 1.38 1.3454 4 5 1 4 70.20 2.52 1.3407 12 3 1 4 71.12 1.94 1.3257 11 3 2 4 71.30 1.15 1.3227 7 2 4 4 71.82 2.62 1.3145 6 5 0 4 71.96 5.16 1.3122 15 0 1 2 72.15 1.11 1.3092 1 0 5 2 72.22 1.81 1.3082 10 4 1 4 72.77 2.23 1.2996 9 1 4 4 73.55 1.33 1.2878 1 1 5 4 73.56 1.15 1.2875 3 0 5 2 74.04 2.54 1.2804 5 3 4 4 74.72 1.00 1.2704 10 0 4 2 75.68 3.51 1.2567 10 3 3 4 75.87 3.09 1.2541 15 2 0 4 76.10 1.71 1.2508 10 1 4 4 76.36 1.37 1.2472 5 0 5 2 76.46 4.46 1.2458 12 2 3 4 77.49 1.06 1.2318 15 2 1 4 77.50 2.40 1.2316 0 2 5 2 77.73 1.68 1.2286 5 1 5 4 78.21 1.28 1.2222 7 3 4 4 78.26 1.18 1.2216 12 4 0 4 78.37 7.80 1.2201 6 5 2 4 79.30 1.26 1.2081 0 4 4 2 79.30 1.59 1.2081 14 3 1 4 79.62 1.58 1.2041 6 1 5 4 79.87 1.10 1.2009 12 4 1 4 80.26 2.24 1.1962 4 2 5 4 80.41 1.04 1.1942 1 5 3 4 81.26 4.49 1.1839 9 5 1 4 82.04 2.26 1.1746 4 4 4 4 82.21 1.53 1.1726 16 0 2 2 82.28 1.02 1.1718 0 6 1 2 82.30 1.67 1.1715 12 0 4 2 82.32 5.28 1.1714 15 2 2 4 82.80 1.63 1.1657 16 2 1 4 82.90 1.38 1.1646 10 5 0 4 83.57 1.18 1.1570 5 4 4 4 83.68 2.60 1.1557 9 3 4 4 83.81 1.62 1.1543 3 6 1 4 84.67 3.20 1.1448 12 4 2 4 84.91 2.28 1.1421 15 0 3 2 85.16 1.21 1.1394 10 4 3 4 85.43 1.24 1.1364 6 4 4 4 86.52 2.27 1.1250 5 6 1 4 86.97 1.31 1.1203 4 3 5 4 87.04 2.15 1.1195 0 6 2 2 87.27 1.30 1.1172 9 1 5 4 88.37 1.13 1.1061 6 6 1 4 89.25 1.20 1.0974 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.