PbNb2O6 Labbe P, Frey M, Raveau B, Monier J Acta Crystallographica B33 (1977) 2201-2212 Structure cristalline de la phase ferroelectrique du niobate de plomb PbNb2O6. Deplacements des atomes metalliques et interpretation de la surstructure _cod_database_code 1001009 _database_code_amcsd 0009596 CELL PARAMETERS: 35.2920 17.9430 7.7460 90.000 90.000 90.000 SPACE GROUP: Bb2_1m X-RAY WAVELENGTH: 1.541838 Cell Volume: 4905.111 Density (g/cm3): 6.621 MAX. ABS. INTENSITY / VOLUME**2: 48.10788211 RIR: 2.366 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.86 2.62 8.9715 0 2 0 1 14.08 14.10 6.2906 4 2 0 2 15.64 43.46 5.6645 2 3 0 2 15.86 32.82 5.5893 6 1 0 2 19.68 1.20 4.5101 5 2 1 4 19.79 4.97 4.4858 0 4 0 1 20.13 2.85 4.4115 8 0 0 2 22.23 6.10 3.9986 4 4 0 2 22.46 2.43 3.9588 8 2 0 2 22.96 1.03 3.8730 0 0 2 2 25.04 1.37 3.5558 0 2 2 2 25.33 14.23 3.5166 2 5 0 2 25.73 14.63 3.4629 10 1 0 2 27.04 23.88 3.2980 4 2 2 4 27.91 99.76 3.1971 2 3 2 4 28.03 100.00 3.1834 6 1 2 4 28.38 10.84 3.1453 8 4 0 2 29.03 1.03 3.0758 7 4 1 4 29.15 91.94 3.0635 6 5 0 2 29.39 83.58 3.0395 10 3 0 2 29.88 22.03 2.9905 0 6 0 1 30.39 22.23 2.9410 12 0 0 2 30.49 27.62 2.9315 0 4 2 2 30.72 24.76 2.9105 8 0 2 4 31.59 28.58 2.8322 4 6 0 2 32.03 26.23 2.7947 12 2 0 2 32.18 82.39 2.7820 4 4 2 4 32.34 97.76 2.7685 8 2 2 4 34.45 18.36 2.6035 2 5 2 4 34.75 15.36 2.5815 10 1 2 4 36.53 1.21 2.4595 12 4 0 2 36.81 8.30 2.4416 8 4 2 4 37.42 1.13 2.4030 5 1 3 4 37.43 12.54 2.4027 6 5 2 4 37.62 7.34 2.3911 10 3 2 4 38.02 11.29 2.3670 0 6 2 2 38.30 6.53 2.3499 6 7 0 2 38.43 4.47 2.3422 12 0 2 4 38.76 9.23 2.3230 14 3 0 2 39.41 1.38 2.2862 4 6 2 4 39.77 1.73 2.2663 12 2 2 4 40.91 1.22 2.2057 16 0 0 2 41.54 15.46 2.1737 4 8 0 2 42.19 19.55 2.1420 16 2 0 2 42.61 1.17 2.1220 2 7 2 4 43.14 12.03 2.0969 12 6 0 2 43.38 1.43 2.0857 8 6 2 4 43.59 1.51 2.0762 12 4 2 4 43.78 1.04 2.0677 9 7 1 4 45.13 8.53 2.0090 6 7 2 4 45.36 10.77 1.9993 8 8 0 2 45.52 1.08 1.9928 17 1 1 4 45.53 8.28 1.9921 14 3 2 4 45.80 6.04 1.9811 2 9 0 2 45.84 6.10 1.9794 16 4 0 2 46.92 51.22 1.9365 0 0 4 2 47.99 11.02 1.8956 4 8 2 4 48.20 9.74 1.8882 6 9 0 2 48.57 10.61 1.8744 16 2 2 4 48.89 7.58 1.8631 18 3 0 2 49.23 1.15 1.8508 4 2 4 4 49.43 32.33 1.8440 12 6 2 4 49.76 4.30 1.8324 2 3 4 4 49.84 3.51 1.8298 6 1 4 4 49.88 1.13 1.8283 10 7 2 4 50.10 1.08 1.8206 14 5 2 4 50.89 3.33 1.7943 0 10 0 1 51.22 3.03 1.7834 12 8 0 2 51.44 12.73 1.7766 8 8 2 4 51.48 5.15 1.7751 16 6 0 2 51.81 3.99 1.7646 20 0 0 2 51.84 16.42 1.7637 2 9 2 4 51.87 12.67 1.7625 16 4 2 4 52.01 1.90 1.7583 4 10 0 2 52.56 19.48 1.7410 18 1 2 4 52.73 4.02 1.7358 10 9 0 2 53.24 3.52 1.7206 18 5 0 2 54.03 4.11 1.6972 6 9 2 4 54.06 2.83 1.6963 2 5 4 4 54.27 2.94 1.6902 10 1 4 4 54.67 5.52 1.6789 18 3 2 4 55.74 2.80 1.6490 8 4 4 4 56.00 1.47 1.6421 20 4 0 2 56.19 25.65 1.6369 6 5 4 4 56.33 24.07 1.6332 10 3 4 4 56.53 8.03 1.6281 0 10 2 2 56.62 6.59 1.6255 0 6 4 2 56.84 15.07 1.6199 12 8 2 4 56.93 6.89 1.6174 12 0 4 4 57.07 11.24 1.6137 16 6 2 4 57.38 3.02 1.6058 20 0 2 4 57.57 1.09 1.6010 4 10 2 4 57.67 9.91 1.5986 4 6 4 4 57.94 9.52 1.5917 12 2 4 4 58.25 6.41 1.5840 10 9 2 4 58.71 3.70 1.5727 16 8 0 2 58.72 6.80 1.5724 18 5 2 4 58.74 3.89 1.5719 6 11 0 2 59.08 1.52 1.5637 14 9 0 2 59.34 2.12 1.5573 18 7 0 2 59.68 3.65 1.5494 22 3 0 2 60.44 4.05 1.5317 12 10 0 2 60.96 5.27 1.5198 20 6 0 2 61.32 1.42 1.5118 20 4 2 4 61.95 2.29 1.4979 2 11 2 4 62.07 1.84 1.4953 0 12 0 1 62.11 2.52 1.4944 6 7 4 4 62.43 3.39 1.4874 14 3 4 4 62.75 3.41 1.4807 10 11 0 2 62.92 2.28 1.4770 22 1 2 4 63.24 4.29 1.4705 24 0 0 2 63.52 2.63 1.4645 22 5 0 2 63.89 2.42 1.4571 16 8 2 4 63.92 6.06 1.4565 6 11 2 4 64.24 1.55 1.4500 14 9 2 4 64.44 6.61 1.4459 4 8 4 4 64.49 2.19 1.4449 18 7 2 4 64.81 3.98 1.4386 22 3 2 4 64.92 8.29 1.4365 16 2 4 4 65.53 1.48 1.4244 12 10 2 4 65.63 5.60 1.4226 12 6 4 4 66.97 1.34 1.3973 24 4 0 2 67.10 2.49 1.3949 0 12 2 2 67.31 5.16 1.3910 8 8 4 4 67.54 1.13 1.3868 20 8 0 2 67.66 2.92 1.3848 2 9 4 4 67.69 2.75 1.3842 16 4 4 4 67.75 1.62 1.3830 10 11 2 4 68.05 1.64 1.3778 4 12 2 4 68.22 1.52 1.3747 24 0 2 4 68.50 2.66 1.3699 22 5 2 4 69.13 1.17 1.3589 24 2 2 4 69.54 4.88 1.3519 6 9 4 4 70.09 3.82 1.3426 18 3 4 4 70.67 2.80 1.3329 12 12 0 2 71.49 1.16 1.3196 24 6 0 2 71.71 1.93 1.3162 0 10 4 2 71.82 1.45 1.3144 24 4 2 4 71.98 1.68 1.3119 12 8 4 4 72.19 2.86 1.3085 16 6 4 4 72.38 1.68 1.3057 20 8 2 4 72.46 2.48 1.3043 20 0 4 4 72.63 1.11 1.3018 4 10 4 4 73.23 2.54 1.2926 10 9 4 4 73.65 2.29 1.2862 18 5 4 4 73.96 1.36 1.2816 0 14 0 1 74.78 1.85 1.2696 26 5 0 2 74.78 1.14 1.2695 6 13 2 4 74.86 3.31 1.2683 4 14 0 2 75.42 3.22 1.2603 12 12 2 4 75.54 4.36 1.2587 2 3 6 4 75.58 1.76 1.2581 20 10 0 2 75.59 4.37 1.2579 6 1 6 4 75.87 1.74 1.2540 18 11 0 2 76.22 2.38 1.2491 24 6 2 4 76.84 1.41 1.2406 0 4 6 2 76.95 1.31 1.2390 8 0 6 4 77.05 1.37 1.2377 16 12 0 2 77.57 1.59 1.2308 8 14 0 2 77.73 5.03 1.2286 4 4 6 4 77.82 5.72 1.2274 8 2 6 4 78.32 2.70 1.2208 16 8 4 4 78.35 2.96 1.2204 6 11 4 4 78.38 2.35 1.2200 10 13 2 4 78.64 1.14 1.2166 14 9 4 4 78.88 1.59 1.2136 18 7 4 4 79.01 1.41 1.2119 2 5 6 4 79.17 2.72 1.2098 22 3 4 4 79.18 1.20 1.2097 10 1 6 4 79.52 2.19 1.2053 4 14 2 4 79.84 3.14 1.2014 12 10 4 4 80.31 3.93 1.1955 20 6 4 4 80.51 4.49 1.1930 18 11 2 4 80.80 3.86 1.1894 22 9 2 4 80.92 2.26 1.1880 28 2 2 4 81.29 1.46 1.1835 0 12 4 2 81.90 2.63 1.1762 10 11 4 4 82.18 3.58 1.1730 8 14 2 4 82.34 3.43 1.1711 24 0 4 4 82.60 1.99 1.1681 22 5 4 4 83.48 6.78 1.1579 28 4 2 4 85.74 1.18 1.1331 24 4 4 4 86.18 1.16 1.1284 14 3 6 4 86.27 1.02 1.1275 20 8 4 4 87.20 1.49 1.1179 30 5 0 2 87.98 1.55 1.1100 4 8 6 4 88.41 1.68 1.1057 16 2 6 4 89.05 4.81 1.0993 12 6 6 4 89.20 2.43 1.0979 12 12 4 4 89.58 1.14 1.0943 20 12 2 4 89.89 2.04 1.0913 24 10 2 4 89.98 1.09 1.0905 24 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.