Roeblingite Moore P B, Shen J American Mineralogist 69 (1984) 1173-1179 Roeblingite, Pb2Ca6(SO4)2(OH)2(H2O)4[Mn(Si3O9)2]: Its crystal structure and comments on the lone pair effect _database_code_amcsd 0000963 CELL PARAMETERS: 13.2080 8.2870 13.0890 90.000 106.650 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1372.585 Density (g/cm3): 3.579 MAX. ABS. INTENSITY / VOLUME**2: 17.55943217 RIR: 1.597 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.05 1.98 12.5402 0 0 1 2 12.77 54.77 6.9327 1 1 0 4 13.59 100.00 6.5158 -1 1 1 4 13.75 55.01 6.4394 -2 0 1 2 14.12 11.62 6.2701 0 0 2 2 16.82 19.37 5.2726 -2 0 2 2 17.41 27.68 5.0924 2 0 1 2 20.54 12.53 4.3248 1 1 2 4 21.26 17.90 4.1801 0 0 3 2 21.45 40.79 4.1435 0 2 0 2 22.60 35.40 3.9343 0 2 1 4 22.65 17.25 3.9265 2 0 2 2 22.90 21.19 3.8839 -3 1 1 4 23.06 8.47 3.8575 -1 1 3 4 23.67 17.91 3.7591 3 1 0 4 24.30 27.87 3.6629 -3 1 2 4 25.56 28.84 3.4845 -2 2 1 4 25.77 1.00 3.4569 0 2 2 4 26.43 39.10 3.3718 3 1 1 4 26.57 8.80 3.3544 1 1 3 4 27.02 6.53 3.2999 -4 0 1 2 27.38 10.44 3.2579 -2 2 2 4 27.56 87.04 3.2360 -3 1 3 4 27.71 1.92 3.2197 -4 0 2 2 27.76 35.93 3.2140 2 2 1 4 27.91 14.93 3.1971 -2 0 4 2 28.47 21.17 3.1351 0 0 4 2 29.37 47.32 3.0414 -1 1 4 4 30.15 5.41 2.9641 -4 0 3 2 30.37 79.23 2.9427 0 2 3 4 30.70 21.91 2.9127 3 1 2 4 30.82 2.10 2.9014 -2 2 3 4 31.07 45.39 2.8781 4 0 1 2 31.39 49.37 2.8501 2 2 2 4 32.17 3.54 2.7823 -3 1 4 4 33.16 7.09 2.7018 1 1 4 4 33.20 2.88 2.6988 1 3 0 4 33.54 16.65 2.6722 -1 3 1 4 34.42 11.57 2.6058 1 3 1 4 34.49 1.44 2.6008 -2 0 5 2 34.75 2.66 2.5813 -4 2 1 4 35.25 1.04 2.5462 4 0 2 2 35.30 37.40 2.5424 -4 2 2 4 35.40 8.67 2.5358 -1 3 2 4 35.80 3.57 2.5080 0 0 5 2 35.80 2.02 2.5079 -5 1 1 4 35.92 1.29 2.4999 -5 1 2 4 35.98 1.01 2.4961 3 1 3 4 36.12 2.07 2.4866 -1 1 5 4 36.17 2.96 2.4836 2 2 3 4 37.06 10.28 2.4257 1 3 2 4 37.14 17.98 2.4205 5 1 0 4 37.30 4.38 2.4108 -4 2 3 4 37.49 14.01 2.3991 -5 1 3 4 37.69 14.76 2.3866 -3 1 5 4 38.07 13.00 2.3638 4 2 1 4 38.59 4.12 2.3332 -1 3 3 4 38.91 3.19 2.3145 -4 0 5 2 39.38 12.66 2.2880 -3 3 2 4 40.11 2.60 2.2483 1 1 5 4 40.36 10.44 2.2349 -5 1 4 4 40.39 4.43 2.2334 4 0 3 2 40.56 1.74 2.2243 -4 2 4 4 40.80 1.65 2.2116 3 3 1 4 40.90 1.29 2.2067 1 3 3 4 40.97 20.76 2.2028 -2 2 5 4 41.33 19.48 2.1847 -6 0 1 2 41.43 5.03 2.1792 -2 0 6 2 41.58 4.47 2.1719 -3 3 3 4 41.63 6.95 2.1694 4 2 2 4 42.40 3.13 2.1317 2 0 5 2 42.86 38.05 2.1101 -1 3 4 4 42.88 2.29 2.1090 6 0 0 2 43.20 2.25 2.0940 -1 1 6 4 43.29 6.63 2.0900 0 0 6 2 43.69 18.54 2.0717 0 4 0 2 43.83 6.83 2.0657 3 3 2 4 43.86 14.50 2.0642 -3 1 6 4 44.32 1.13 2.0440 0 4 1 4 44.37 1.99 2.0417 -6 0 4 2 44.93 1.11 2.0176 -3 3 4 4 45.68 1.72 1.9862 1 3 4 4 46.02 6.57 1.9722 -2 4 1 4 46.15 1.09 1.9671 0 4 2 4 46.24 2.12 1.9633 4 0 4 2 46.78 1.69 1.9420 -6 2 2 4 47.02 2.13 1.9325 -6 2 1 4 47.13 10.23 1.9282 -2 4 2 4 47.36 8.62 1.9195 1 1 6 4 47.37 2.06 1.9190 2 4 1 4 47.73 1.84 1.9053 -6 0 5 2 47.74 10.16 1.9053 -5 3 1 4 47.99 3.40 1.8959 -1 3 5 4 48.00 6.34 1.8955 2 2 5 4 48.34 3.60 1.8828 5 1 3 4 48.43 7.29 1.8796 6 2 0 4 48.51 14.00 1.8768 3 1 5 4 48.80 1.02 1.8661 0 2 6 4 48.80 3.33 1.8661 5 3 0 4 49.08 3.57 1.8563 0 4 3 4 49.08 8.69 1.8562 -5 3 3 4 49.24 6.02 1.8504 -3 3 5 4 49.38 1.12 1.8458 -2 4 3 4 49.38 4.02 1.8456 6 0 2 2 49.55 13.10 1.8398 -7 1 2 4 49.76 13.13 1.8323 2 4 2 4 49.79 10.57 1.8314 -6 2 4 4 49.99 5.09 1.8245 -4 2 6 4 50.10 4.78 1.8208 -7 1 1 4 50.13 1.45 1.8198 -7 1 3 4 50.58 7.81 1.8045 -1 1 7 4 50.87 2.78 1.7949 -4 0 7 2 50.93 1.40 1.7929 6 2 1 4 51.42 1.48 1.7770 -5 3 4 4 51.51 19.37 1.7742 4 2 4 4 51.81 4.54 1.7645 -7 1 4 4 52.03 2.63 1.7575 -6 0 6 2 52.53 3.01 1.7422 -4 4 2 4 52.67 2.60 1.7378 4 0 5 2 52.89 2.10 1.7311 -6 2 5 4 52.98 1.80 1.7284 0 4 4 4 53.16 3.63 1.7230 2 4 3 4 53.82 2.06 1.7034 5 1 4 4 54.00 1.65 1.6981 -4 4 3 4 54.02 3.00 1.6975 6 0 3 2 54.37 9.71 1.6875 -3 3 6 4 54.42 7.27 1.6859 6 2 2 4 54.45 1.98 1.6850 7 1 1 4 54.53 4.76 1.6828 -7 1 5 4 54.58 12.01 1.6814 4 4 1 4 54.73 5.98 1.6772 2 2 6 4 54.76 2.97 1.6763 -5 1 7 4 54.91 2.68 1.6721 1 1 7 4 55.49 1.24 1.6559 3 1 6 4 55.82 8.06 1.6470 -4 2 7 4 55.92 3.14 1.6444 0 2 7 4 55.95 3.10 1.6435 -8 0 3 2 55.95 1.01 1.6434 1 5 0 4 56.18 5.17 1.6373 -1 5 1 4 56.27 5.75 1.6348 -2 0 8 2 56.49 3.02 1.6289 -4 4 4 4 56.82 1.49 1.6205 -2 4 5 4 57.13 3.26 1.6122 -6 0 7 2 57.39 1.67 1.6056 1 3 6 4 57.45 2.06 1.6042 2 4 4 4 57.72 1.16 1.5973 0 4 5 4 58.09 1.55 1.5880 7 1 2 4 58.25 13.62 1.5840 5 3 3 4 58.27 2.43 1.5833 -1 1 8 4 58.39 4.58 1.5803 3 3 5 4 58.78 5.35 1.5708 6 2 3 4 58.92 3.00 1.5675 0 0 8 2 58.98 2.82 1.5660 -5 3 6 4 59.31 5.56 1.5581 -7 3 2 4 59.62 1.07 1.5509 -3 5 1 4 59.80 5.10 1.5465 -7 3 1 4 60.23 4.92 1.5364 -1 3 7 4 60.26 1.77 1.5357 -3 5 2 4 60.61 1.05 1.5277 -8 2 3 4 61.15 1.26 1.5155 -8 2 1 4 61.31 3.42 1.5120 3 5 1 4 61.70 5.34 1.5033 -6 4 1 4 61.74 1.18 1.5025 -6 2 7 4 61.79 1.05 1.5015 -2 4 6 4 61.89 6.78 1.4991 -3 5 3 4 62.28 1.43 1.4907 -6 4 3 4 62.52 2.54 1.4857 2 4 5 4 62.86 3.41 1.4783 -1 5 4 4 62.88 2.11 1.4780 6 4 0 4 62.89 3.02 1.4778 8 2 0 4 62.93 1.36 1.4769 -6 0 8 2 63.14 1.17 1.4726 5 3 4 4 63.19 2.25 1.4714 0 4 6 4 63.45 2.93 1.4661 0 2 8 4 63.61 2.56 1.4628 3 5 2 4 63.78 10.87 1.4592 -7 3 5 4 64.13 1.32 1.4522 1 3 7 4 64.20 1.56 1.4507 -4 4 6 4 64.58 3.76 1.4432 -9 1 3 4 64.63 1.65 1.4421 -9 1 2 4 64.66 1.30 1.4416 3 3 6 4 64.78 1.64 1.4390 8 0 2 2 64.94 2.19 1.4359 -4 0 9 2 65.05 1.14 1.4337 1 5 4 4 65.19 5.44 1.4310 -3 1 9 4 65.50 2.47 1.4250 4 4 4 4 66.66 2.36 1.4031 5 1 6 4 66.69 1.89 1.4024 -6 4 5 4 67.00 3.31 1.3967 4 0 7 2 67.07 5.74 1.3955 -8 2 6 4 67.21 2.18 1.3929 -1 3 8 4 67.30 2.82 1.3912 -6 2 8 4 67.56 4.76 1.3865 5 5 0 4 67.58 2.14 1.3862 9 1 0 4 67.79 2.00 1.3825 -5 5 3 4 67.86 6.41 1.3812 0 6 0 2 67.92 1.76 1.3801 -3 5 5 4 67.94 4.56 1.3797 -7 1 8 4 69.25 1.06 1.3568 -4 2 9 4 69.26 2.08 1.3566 -4 4 7 4 69.55 1.08 1.3517 1 5 5 4 69.62 1.81 1.3505 -2 6 1 4 69.72 2.12 1.3488 -5 5 4 4 70.06 1.17 1.3431 -9 1 6 4 70.41 3.40 1.3372 9 1 1 4 70.67 2.92 1.3330 2 6 1 4 70.78 2.73 1.3311 3 1 8 4 71.07 1.33 1.3264 1 1 9 4 71.20 2.09 1.3244 7 3 3 4 71.41 1.29 1.3209 1 3 8 4 71.91 4.06 1.3130 6 4 3 4 72.01 3.38 1.3114 0 6 3 4 72.20 1.52 1.3084 -3 5 6 4 72.55 1.23 1.3029 2 6 2 4 72.72 1.76 1.3004 -4 0 10 2 73.09 1.65 1.2946 -9 3 3 4 73.14 1.53 1.2939 -9 3 2 4 73.56 2.55 1.2875 -8 4 3 4 73.65 2.30 1.2862 -9 1 7 4 73.68 1.12 1.2858 -3 3 9 4 73.69 3.12 1.2856 2 0 9 2 73.84 2.39 1.2834 -2 4 8 4 74.59 2.19 1.2723 -6 4 7 4 74.80 1.32 1.2693 -4 6 2 4 74.81 1.35 1.2691 1 5 6 4 74.89 1.10 1.2679 -2 6 4 4 75.17 1.12 1.2639 0 6 4 4 75.57 1.07 1.2582 -10 2 3 4 75.69 2.69 1.2565 3 5 5 4 75.94 2.67 1.2530 9 3 0 4 76.16 1.35 1.2500 -10 2 4 4 76.30 1.54 1.2481 6 2 6 4 76.50 3.51 1.2452 -7 5 2 4 76.50 2.15 1.2452 4 6 1 4 76.83 2.13 1.2407 -4 2 10 4 77.19 1.45 1.2358 -8 0 9 2 77.32 2.52 1.2341 -1 5 7 4 78.30 1.19 1.2211 -7 5 4 4 78.31 2.56 1.2210 -9 3 6 4 78.39 1.62 1.2198 -2 6 5 4 78.61 1.73 1.2170 8 2 4 4 79.01 1.86 1.2119 3 3 8 4 79.18 1.32 1.2097 -10 0 7 2 79.52 1.33 1.2054 -8 4 6 4 79.83 1.48 1.2014 1 1 10 4 80.41 1.03 1.1942 7 1 6 4 80.55 1.16 1.1926 8 0 5 2 81.23 1.25 1.1842 -11 1 4 4 81.43 1.47 1.1819 8 4 2 4 81.57 1.10 1.1802 -4 4 9 4 82.03 1.11 1.1747 -7 3 9 4 82.06 2.48 1.1743 5 3 7 4 82.87 2.28 1.1650 -11 1 1 4 83.38 1.29 1.1591 2 6 5 4 83.47 2.25 1.1581 4 4 7 4 83.70 1.38 1.1554 6 6 0 4 84.55 3.18 1.1461 8 2 5 4 84.74 2.12 1.1440 -6 6 4 4 85.36 3.00 1.1372 -2 2 11 4 86.07 1.96 1.1296 4 6 4 4 86.60 1.78 1.1241 2 2 10 4 86.81 1.64 1.1219 -3 7 3 4 87.67 2.82 1.1131 -1 7 4 4 88.40 2.57 1.1058 6 6 2 4 88.85 2.96 1.1014 -4 4 10 4 89.07 1.16 1.0992 0 2 11 4 89.32 1.23 1.0968 -9 1 10 4 89.54 2.15 1.0946 -4 6 7 4 89.76 2.35 1.0925 -3 5 9 4 89.78 1.91 1.0924 2 4 9 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.