Cornwallite Arlt T, Armbruster T Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 468-480 Single-crystal X-ray structure refinement of cornwallite, Cu5(AsO4)2(OH)4: A comparison with its polymorph cornubite and the (PO4)-analogue pseudomalachite Locality: Clara mine, Oberwolfach, Black Forest, Germany Note: Biso for O2 and O4 switched to match calculated values _database_code_amcsd 0014901 CELL PARAMETERS: 4.6000 5.7570 17.3800 90.000 91.870 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 460.015 Density (g/cm3): 4.727 MAX. ABS. INTENSITY / VOLUME**2: 18.92374662 RIR: 1.304 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.18 2.43 8.6854 0 0 2 2 16.22 8.90 5.4647 0 1 1 4 18.49 39.81 4.7986 0 1 2 4 19.31 71.41 4.5975 1 0 0 2 21.77 1.87 4.0825 0 1 3 4 25.19 73.03 3.5360 -1 1 1 4 25.45 23.90 3.5004 1 1 1 4 26.61 11.51 3.3501 -1 1 2 4 27.10 7.13 3.2903 1 1 2 4 27.79 100.00 3.2097 -1 0 4 2 28.73 57.52 3.1068 1 0 4 2 28.91 27.38 3.0882 -1 1 3 4 29.60 63.72 3.0184 1 1 3 4 30.04 12.27 2.9745 0 1 5 4 30.89 6.08 2.8951 0 0 6 2 31.07 13.72 2.8785 0 2 0 2 32.76 3.94 2.7341 1 1 4 4 32.78 24.95 2.7323 0 2 2 4 34.68 3.53 2.5865 0 1 6 4 34.81 12.52 2.5776 0 2 3 4 35.48 36.63 2.5298 -1 1 5 4 36.12 43.49 2.4867 -1 0 6 2 36.43 58.94 2.4662 1 1 5 4 36.84 2.01 2.4398 1 2 0 4 37.12 3.33 2.4218 -1 2 1 4 37.24 3.62 2.4146 1 0 6 2 37.31 62.62 2.4103 1 2 1 4 37.48 16.17 2.3993 0 2 4 4 38.14 24.85 2.3595 -1 2 2 4 38.50 35.07 2.3383 1 2 2 4 39.19 33.45 2.2988 2 0 0 2 39.55 33.02 2.2788 0 1 7 4 39.85 1.64 2.2624 -1 2 3 4 40.36 1.29 2.2345 1 2 3 4 40.51 5.77 2.2267 1 1 6 4 40.71 12.52 2.2165 0 2 5 4 40.94 1.16 2.2045 2 0 2 2 41.59 18.49 2.1713 0 0 8 2 42.17 1.61 2.1430 -1 2 4 4 42.34 2.08 2.1349 2 1 0 4 42.51 1.50 2.1267 -2 1 1 4 42.83 9.85 2.1115 1 2 4 4 43.81 3.09 2.0666 -1 1 7 4 43.96 2.15 2.0597 -2 0 4 2 43.98 4.02 2.0588 2 1 2 4 44.80 3.00 2.0231 -2 1 3 4 45.23 1.84 2.0048 2 0 4 2 48.43 5.13 1.8795 0 2 7 4 48.59 9.06 1.8738 0 3 2 4 49.83 6.01 1.8300 0 1 9 4 49.84 5.21 1.8296 -2 0 6 2 50.08 2.34 1.8216 0 3 3 4 50.83 7.54 1.7963 2 2 0 4 50.88 7.63 1.7948 2 1 5 4 51.57 2.49 1.7723 2 0 6 2 51.70 27.95 1.7680 -2 2 2 4 52.11 8.82 1.7550 -1 2 7 4 52.27 5.80 1.7502 2 2 2 4 52.48 3.12 1.7437 -2 1 6 4 52.61 3.21 1.7395 -1 3 2 4 52.89 2.16 1.7310 1 3 2 4 52.99 9.54 1.7281 -2 2 3 4 53.09 6.59 1.7249 1 2 7 4 53.82 2.49 1.7034 2 2 3 4 53.95 1.33 1.6995 -1 3 3 4 54.15 2.24 1.6939 2 1 6 4 54.36 2.99 1.6876 1 3 3 4 54.64 9.97 1.6798 0 3 5 4 54.81 2.12 1.6750 -2 2 4 4 55.82 1.02 1.6471 -1 3 4 4 55.89 10.63 1.6451 2 2 4 4 55.96 26.15 1.6432 -2 1 7 4 56.22 6.42 1.6361 -1 2 8 4 56.35 1.11 1.6327 1 3 4 4 57.12 8.22 1.6125 -2 2 5 4 57.29 3.16 1.6082 1 2 8 4 57.31 1.63 1.6077 1 0 10 2 57.42 4.29 1.6049 -2 0 8 2 57.63 2.31 1.5995 0 3 6 4 57.82 9.68 1.5947 2 1 7 4 58.17 2.98 1.5859 -1 3 5 4 58.42 2.05 1.5797 -1 1 10 4 58.44 16.57 1.5793 2 2 5 4 58.82 4.91 1.5698 1 3 5 4 59.51 11.27 1.5534 2 0 8 2 59.72 1.00 1.5485 1 1 10 4 60.40 1.94 1.5325 3 0 0 2 60.66 4.02 1.5266 -1 2 9 4 60.82 8.67 1.5229 0 1 11 4 60.99 3.10 1.5192 -1 3 6 4 61.04 7.56 1.5180 0 3 7 4 61.44 2.14 1.5092 2 2 6 4 61.75 2.02 1.5023 1 3 6 4 61.80 4.70 1.5011 1 2 9 4 62.44 7.40 1.4873 0 2 10 4 62.81 1.43 1.4795 -3 1 1 4 63.11 1.21 1.4732 2 3 0 4 63.73 6.76 1.4602 -3 0 4 2 63.87 4.73 1.4574 -2 3 2 4 64.05 4.26 1.4538 -2 1 9 4 64.23 7.19 1.4501 -1 3 7 4 64.36 1.78 1.4476 0 0 12 2 64.36 3.42 1.4474 2 3 2 4 65.02 8.22 1.4343 0 4 1 4 65.09 1.94 1.4330 1 3 7 4 65.41 5.20 1.4268 -1 2 10 4 65.55 9.86 1.4240 3 1 3 4 65.73 2.56 1.4206 2 3 3 4 65.77 1.65 1.4199 0 4 2 4 66.63 8.63 1.4036 1 2 10 4 67.00 2.29 1.3967 0 4 3 4 67.16 10.41 1.3938 -1 0 12 2 67.67 2.55 1.3845 0 2 11 4 68.03 5.61 1.3781 -3 1 5 4 68.29 6.14 1.3735 1 4 0 4 68.60 10.90 1.3680 1 0 12 2 68.83 1.92 1.3640 1 3 8 4 69.14 2.25 1.3587 -1 4 2 4 69.55 3.76 1.3517 -3 2 1 4 69.82 3.92 1.3471 3 1 5 4 69.87 2.49 1.3462 2 3 5 4 69.90 6.39 1.3457 3 2 1 4 70.09 7.28 1.3425 -3 2 2 4 70.28 9.70 1.3394 -1 4 3 4 70.45 4.42 1.3365 3 0 6 2 70.51 1.04 1.3356 -3 1 6 4 70.64 4.52 1.3335 1 4 3 4 70.79 1.64 1.3310 1 1 12 4 70.80 2.35 1.3308 3 2 2 4 71.21 2.22 1.3242 -2 3 6 4 72.36 1.23 1.3059 1 4 4 4 72.61 2.10 1.3020 2 3 6 4 73.54 1.50 1.2878 0 3 10 4 73.96 3.82 1.2816 -1 4 5 4 74.16 1.68 1.2785 -2 3 7 4 74.54 3.15 1.2731 1 4 5 4 75.10 1.42 1.2649 -2 2 10 4 75.83 1.90 1.2545 -1 2 12 4 76.04 1.84 1.2516 2 1 11 4 76.30 1.70 1.2480 -1 3 10 4 76.52 1.52 1.2450 0 4 7 4 77.21 1.31 1.2356 1 2 12 4 77.38 1.03 1.2333 3 0 8 2 77.39 1.63 1.2331 2 2 10 4 77.45 1.18 1.2324 1 3 10 4 78.51 1.84 1.2184 -2 4 1 4 78.73 1.05 1.2154 2 4 1 4 79.00 3.40 1.2120 0 2 13 4 79.08 1.82 1.2109 -2 4 2 4 79.37 1.77 1.2073 2 0 12 2 79.76 2.29 1.2024 -3 2 7 4 79.84 2.75 1.2013 -2 2 11 4 83.01 2.20 1.1633 -3 2 8 4 83.85 4.03 1.1538 0 4 9 4 84.25 3.42 1.1494 4 0 0 2 84.65 1.00 1.1449 -3 1 10 4 85.16 2.27 1.1394 0 2 14 4 85.54 2.22 1.1353 0 1 15 4 85.60 1.89 1.1346 4 0 2 2 86.10 1.26 1.1293 0 5 3 4 86.67 1.49 1.1234 3 3 5 4 86.70 1.41 1.1231 -3 2 9 4 87.32 1.89 1.1167 -3 3 6 4 87.60 1.53 1.1138 -1 2 14 4 88.15 1.30 1.1083 0 4 10 4 88.75 1.96 1.1023 -2 4 7 4 89.71 2.16 1.0931 3 2 9 4 89.72 1.85 1.0929 0 5 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.