Nealite Pertlik F, Schnorrer G Mineralogy and Petrology 48 (1993) 193-200 A re-appraisal of the chemical formula of nealite, Pb4Fe(AsO3)2Cl4*2H2O, on the basis of a crystal structure determination Locality: Laurion, Greece _database_code_amcsd 0014634 CELL PARAMETERS: 6.5480 10.2430 5.5870 96.200 89.600 97.700 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 369.165 Density (g/cm3): 5.904 MAX. ABS. INTENSITY / VOLUME**2: 35.13473354 RIR: 1.938 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.76 89.91 10.0912 0 1 0 2 13.65 100.00 6.4888 1 0 0 2 15.21 21.77 5.8245 -1 1 0 2 15.96 1.81 5.5542 0 0 1 2 17.21 6.69 5.1527 1 1 0 2 17.37 1.86 5.1044 0 -1 1 2 19.05 6.10 4.6579 0 1 1 2 20.80 48.48 4.2701 -1 2 0 2 20.97 24.34 4.2354 -1 0 1 2 21.13 77.82 4.2037 1 0 1 2 21.49 7.10 4.1359 1 -1 1 2 22.49 47.17 3.9533 0 -2 1 2 22.81 66.90 3.8983 -1 -1 1 2 24.27 25.73 3.6672 1 1 1 2 25.09 69.09 3.5487 0 2 1 2 25.18 58.43 3.5362 1 -2 1 2 26.50 26.63 3.3637 0 3 0 2 27.42 75.85 3.2522 -1 2 1 2 27.49 8.22 3.2444 2 0 0 2 27.73 21.07 3.2169 -2 1 0 2 29.52 26.74 3.0257 0 -3 1 2 29.87 2.23 2.9912 1 2 1 2 30.04 55.28 2.9747 2 1 0 2 30.70 27.04 2.9122 -2 2 0 2 31.13 88.16 2.8733 1 -3 1 2 31.56 94.03 2.8351 1 3 0 2 31.77 3.80 2.8167 2 -1 1 2 31.84 40.42 2.8108 -2 0 1 2 32.05 63.58 2.7922 2 0 1 2 32.23 85.31 2.7771 0 0 2 2 32.50 36.13 2.7548 0 -1 2 2 32.54 16.89 2.7517 -2 1 1 2 32.58 4.37 2.7486 0 3 1 2 33.62 50.13 2.6657 -2 -1 1 2 33.95 60.46 2.6406 -1 3 1 2 33.95 2.18 2.6402 2 -2 1 2 34.12 11.12 2.6276 -1 -3 1 2 34.76 27.12 2.5809 2 1 1 2 35.05 11.45 2.5601 -1 0 2 2 35.16 2.54 2.5522 0 -2 2 2 35.25 6.32 2.5461 1 0 2 2 35.59 1.43 2.5228 0 4 0 2 35.78 1.30 2.5096 -1 -1 2 2 35.78 2.14 2.5093 -2 3 0 2 36.44 13.28 2.4656 -1 4 0 2 36.61 2.22 2.4543 -1 1 2 2 36.93 5.34 2.4339 1 3 1 2 37.06 7.62 2.4258 1 -2 2 2 37.73 2.41 2.3844 1 1 2 2 38.24 1.85 2.3537 2 -3 1 2 38.66 1.44 2.3289 0 2 2 2 39.45 1.14 2.2844 2 2 1 2 39.80 18.04 2.2651 0 -3 2 2 40.04 5.38 2.2516 1 4 0 2 40.24 3.71 2.2412 -1 2 2 2 41.16 2.22 2.1929 2 3 0 2 41.51 1.37 2.1755 -3 1 0 2 41.57 1.38 2.1723 -1 4 1 2 41.76 2.09 2.1629 3 0 0 2 41.77 4.15 2.1626 -1 -4 1 2 42.11 13.98 2.1460 1 2 2 2 42.42 4.81 2.1307 2 -1 2 2 42.70 5.30 2.1177 -2 0 2 2 43.03 4.46 2.1019 2 0 2 2 43.19 6.42 2.0945 -2 -3 1 2 43.25 19.16 2.0921 -3 2 0 2 43.41 25.13 2.0847 -1 -3 2 2 43.63 6.09 2.0747 -2 1 2 2 43.72 9.73 2.0704 -2 -1 2 2 43.78 22.83 2.0680 2 -2 2 2 43.97 10.52 2.0591 3 1 0 2 44.11 10.81 2.0532 2 -4 1 2 44.49 8.63 2.0365 3 -1 1 2 44.49 9.02 2.0363 0 3 2 2 44.91 2.80 2.0182 1 4 1 2 44.99 8.54 2.0150 -3 1 1 2 45.10 1.31 2.0103 3 0 1 2 45.23 20.98 2.0049 -1 5 0 2 45.54 4.78 1.9918 2 1 2 2 45.61 13.91 1.9890 2 3 1 2 45.77 8.98 1.9824 3 -2 1 2 46.17 7.58 1.9663 0 -5 1 2 46.42 14.84 1.9562 -2 2 2 2 46.89 5.11 1.9376 -2 4 1 2 46.95 2.11 1.9351 2 -3 2 2 46.98 9.46 1.9341 -3 2 1 2 47.54 4.81 1.9125 3 1 1 2 47.93 2.79 1.8980 3 2 0 2 47.97 23.16 1.8964 1 3 2 2 48.82 1.97 1.8653 3 -3 1 2 49.03 2.17 1.8579 1 5 0 2 49.06 1.31 1.8570 0 -1 3 2 49.53 13.08 1.8405 -1 -4 2 2 49.70 8.62 1.8343 0 5 1 2 49.91 14.49 1.8271 -2 5 0 2 49.96 1.57 1.8256 -1 5 1 2 50.04 6.32 1.8226 -2 -4 1 2 50.05 5.99 1.8226 -3 -2 1 2 50.17 2.16 1.8184 -1 -5 1 2 50.65 5.20 1.8022 0 -2 3 2 50.66 1.15 1.8018 -3 3 1 2 51.08 3.97 1.7880 -2 -3 2 2 51.15 1.17 1.7859 2 -5 1 2 51.21 1.97 1.7839 -1 0 3 2 51.41 4.00 1.7773 -1 -1 3 2 51.43 4.29 1.7768 1 0 3 2 51.62 1.32 1.7706 3 2 1 2 51.86 3.87 1.7629 -3 4 0 2 52.07 3.03 1.7564 -1 4 2 2 53.34 3.94 1.7176 3 3 0 2 53.43 6.62 1.7149 3 -4 1 2 53.49 11.83 1.7131 1 -5 2 2 53.58 5.76 1.7104 1 5 1 2 53.62 3.75 1.7094 1 1 3 2 53.87 3.70 1.7019 3 -2 2 2 53.88 3.43 1.7015 0 -3 3 2 54.30 1.41 1.6893 -2 5 1 2 54.56 2.67 1.6819 0 6 0 2 54.62 4.13 1.6804 0 2 3 2 54.71 4.93 1.6777 -3 -1 2 2 54.95 15.39 1.6709 1 -3 3 2 54.98 2.34 1.6700 -3 -3 1 2 54.99 1.64 1.6699 1 4 2 2 55.31 1.24 1.6611 2 3 2 2 55.34 8.63 1.6602 0 -6 1 2 55.79 9.35 1.6477 -3 4 1 2 55.80 15.88 1.6474 -1 2 3 2 56.01 7.51 1.6417 -3 2 2 2 56.21 4.73 1.6364 -4 1 0 2 56.29 4.07 1.6344 3 -3 2 2 56.40 3.92 1.6313 3 1 2 2 57.09 2.61 1.6133 3 3 1 2 57.50 12.95 1.6028 2 0 3 2 57.61 11.98 1.5999 -2 -1 3 2 57.75 1.66 1.5964 2 -5 2 2 58.31 2.16 1.5823 -2 6 0 2 58.51 3.90 1.5775 1 6 0 2 58.66 1.49 1.5739 4 -1 1 2 58.86 3.85 1.5690 4 1 0 2 59.00 2.09 1.5655 -4 1 1 2 59.08 8.87 1.5635 0 6 1 2 59.21 2.79 1.5604 -1 -6 1 2 59.22 1.10 1.5603 -4 0 1 2 59.34 4.36 1.5575 3 -5 1 2 59.39 2.21 1.5562 4 -2 1 2 59.48 3.14 1.5540 4 0 1 2 59.65 5.99 1.5501 -1 5 2 2 59.95 6.92 1.5430 3 4 0 2 60.19 2.04 1.5374 3 -4 2 2 60.34 2.59 1.5339 -1 3 3 2 60.97 6.96 1.5196 -4 -1 1 2 61.18 1.78 1.5149 -3 -4 1 2 61.62 2.45 1.5051 -1 -4 3 2 61.74 2.26 1.5025 -3 -3 2 2 61.83 4.20 1.5005 4 1 1 2 62.06 1.34 1.4956 2 4 2 2 62.45 1.65 1.4872 1 3 3 2 63.24 1.27 1.4705 -2 -3 3 2 63.51 4.39 1.4647 -2 5 2 2 63.61 1.13 1.4627 2 -4 3 2 63.74 1.71 1.4600 3 4 1 2 63.93 4.79 1.4561 -4 4 0 2 64.19 2.52 1.4509 -4 -2 1 2 64.55 1.91 1.4438 -3 4 2 2 64.73 2.93 1.4402 1 -7 1 2 64.90 2.97 1.4368 -1 -6 2 2 64.91 2.73 1.4367 2 -6 2 2 65.06 1.42 1.4335 0 -7 1 2 65.61 2.28 1.4230 4 2 1 2 65.64 4.31 1.4223 3 3 2 2 65.89 4.44 1.4176 2 6 0 2 65.98 4.51 1.4159 4 -1 2 2 66.13 3.40 1.4130 3 -2 3 2 66.52 3.74 1.4057 -2 -6 1 2 66.62 3.05 1.4038 -4 1 2 2 66.87 3.59 1.3992 -3 1 3 2 67.04 5.82 1.3961 0 -1 4 2 67.27 4.70 1.3917 -3 -4 2 2 67.45 5.06 1.3885 0 0 4 2 67.93 2.84 1.3799 2 -7 1 2 68.12 1.92 1.3764 -2 -4 3 2 68.67 1.07 1.3668 -1 7 1 2 68.72 1.63 1.3659 2 -5 3 2 68.79 1.76 1.3647 2 3 3 2 68.98 1.21 1.3614 -3 2 3 2 70.03 2.85 1.3435 2 6 1 2 70.09 1.19 1.3425 -2 4 3 2 71.26 2.56 1.3233 3 -4 3 2 71.46 1.63 1.3201 4 -4 2 2 71.61 3.44 1.3178 0 -6 3 2 71.72 3.48 1.3160 -2 7 1 2 71.80 1.16 1.3146 1 6 2 2 71.87 1.04 1.3136 3 -6 2 2 72.12 2.24 1.3096 3 4 2 2 72.13 2.50 1.3095 -5 1 0 2 72.47 1.20 1.3042 -3 3 3 2 72.88 1.07 1.2979 -4 5 1 2 72.98 4.19 1.2963 0 5 3 2 72.99 1.88 1.2963 -1 -3 4 2 73.56 1.04 1.2875 2 -1 4 2 73.97 2.01 1.2814 -3 7 0 2 73.98 1.93 1.2813 2 -2 4 2 73.99 1.09 1.2812 -3 -5 2 2 74.25 2.16 1.2774 -2 -1 4 2 74.71 1.99 1.2705 -1 8 0 2 74.92 1.66 1.2675 1 2 4 2 75.27 1.09 1.2625 -2 1 4 2 75.35 1.28 1.2614 0 8 0 2 75.37 1.08 1.2611 -4 4 2 2 75.85 1.85 1.2544 3 -5 3 2 76.02 1.00 1.2519 -2 -7 1 2 76.89 1.08 1.2399 2 1 4 2 77.03 1.86 1.2379 -1 -4 4 2 77.27 1.41 1.2347 -3 4 3 2 77.46 1.31 1.2321 4 -1 3 2 77.58 2.20 1.2305 2 -8 1 2 77.67 1.20 1.2293 -3 -4 3 2 77.74 2.14 1.2285 -5 3 1 2 78.04 1.63 1.2244 -3 6 2 2 78.20 1.49 1.2224 3 3 3 2 78.53 2.14 1.2181 5 2 0 2 78.62 1.42 1.2169 2 6 2 2 79.04 1.74 1.2115 -4 -1 3 2 79.45 1.85 1.2063 3 -7 2 2 79.51 1.93 1.2055 5 -4 1 2 79.71 2.73 1.2030 1 3 4 2 79.78 1.86 1.2021 1 -5 4 2 80.09 1.88 1.1983 0 -8 2 2 80.18 1.38 1.1971 3 6 1 2 80.20 1.28 1.1969 -4 -4 2 2 80.97 1.16 1.1874 5 -1 2 2 81.06 1.04 1.1863 5 -2 2 2 81.34 1.76 1.1830 4 1 3 2 81.34 1.24 1.1829 0 6 3 2 81.41 2.03 1.1821 -4 -2 3 2 81.45 1.47 1.1816 -5 1 2 2 82.55 1.26 1.1687 2 -7 3 2 83.30 1.58 1.1600 -1 4 4 2 84.02 1.03 1.1519 4 -7 1 2 85.86 1.16 1.1319 1 -6 4 2 86.09 1.22 1.1294 -5 -2 2 2 87.87 1.17 1.1111 -1 8 2 2 88.54 1.17 1.1044 0 8 2 2 88.77 1.52 1.1021 5 2 2 2 88.93 1.50 1.1005 4 -7 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.