Bi O8 P Pb4 Giraud S, Wignacourt J, Drache M, Nowogrocki G, Steinfink H Journal of Solid State Chemistry 142 (1999) 80-88 The stereochemical effect of 6s2 lone-pair electrons: the crystal structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4 _cod_database_code 1004143 _database_code_amcsd 0013955 CELL PARAMETERS: 6.2150 7.4400 10.4980 100.190 103.730 90.050 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 463.648 Density (g/cm3): 8.571 MAX. ABS. INTENSITY / VOLUME**2: 114.0065771 RIR: 4.331 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.82 16.05 10.0271 0 0 1 2 13.62 3.93 6.5010 0 -1 1 2 14.69 5.30 6.0313 1 0 0 2 15.21 13.35 5.8266 -1 0 1 2 16.25 7.05 5.4551 0 1 1 2 17.69 1.08 5.0135 0 0 2 2 18.64 2.04 4.7595 -1 1 0 2 18.87 2.23 4.7034 -1 -1 1 2 18.91 6.68 4.6924 1 0 1 2 19.49 3.92 4.5545 1 1 0 2 19.56 8.36 4.5394 0 -1 2 2 20.07 1.79 4.4245 -1 1 1 2 21.23 4.50 4.1849 1 -1 1 2 22.15 1.41 4.0132 -1 -1 2 2 23.27 6.61 3.8232 0 1 2 2 23.73 6.05 3.7501 1 1 1 2 24.33 2.24 3.6576 0 2 0 2 24.34 2.42 3.6576 0 -2 1 2 25.70 10.08 3.4662 1 0 2 2 26.67 66.46 3.3424 0 0 3 2 26.74 5.94 3.3343 1 -1 2 2 27.20 60.15 3.2780 -1 0 3 2 27.24 3.90 3.2741 0 -1 3 2 27.44 15.91 3.2507 0 2 1 2 27.44 17.63 3.2505 0 -2 2 2 28.78 8.68 3.1017 -2 0 1 2 29.09 2.32 3.0692 1 -2 1 2 29.11 2.63 3.0671 1 2 0 2 29.62 99.65 3.0157 2 0 0 2 29.64 100.00 3.0140 -1 2 1 2 29.66 98.81 3.0118 -1 -2 2 2 30.16 3.51 2.9631 1 1 2 2 31.21 2.58 2.8662 -2 -1 1 2 31.39 2.42 2.8500 0 1 3 2 31.44 3.78 2.8451 -2 1 1 2 31.58 2.60 2.8332 -2 1 0 2 32.36 2.33 2.7668 -2 -1 2 2 32.62 1.28 2.7450 2 1 0 2 32.79 55.98 2.7315 1 -2 2 2 32.80 57.43 2.7300 1 2 1 2 32.84 1.02 2.7275 0 2 2 2 32.84 1.10 2.7274 0 -2 3 2 33.65 36.83 2.6636 1 0 3 2 33.76 4.30 2.6548 -1 2 2 2 33.78 4.61 2.6533 -1 -2 3 2 33.82 1.75 2.6501 -2 1 2 2 33.86 1.54 2.6473 1 -1 3 2 34.93 40.32 2.5684 -2 0 3 2 35.30 2.27 2.5424 -1 0 4 2 35.40 1.55 2.5356 -1 -1 4 2 35.68 1.10 2.5163 0 -1 4 2 35.82 5.79 2.5068 0 0 4 2 37.80 2.09 2.3797 -2 2 0 2 37.84 2.00 2.3777 -2 -2 1 2 38.24 4.32 2.3537 -2 2 1 2 38.27 5.22 2.3517 -2 -2 2 2 38.37 4.59 2.3462 2 0 2 2 39.14 3.26 2.3013 -1 -3 1 2 39.23 2.16 2.2967 -1 3 0 2 39.41 2.14 2.2867 -1 1 4 2 39.54 3.59 2.2790 2 -2 1 2 39.55 4.42 2.2787 1 -3 1 2 39.58 3.83 2.2772 2 2 0 2 39.71 6.25 2.2699 0 2 3 2 39.71 6.05 2.2697 0 -2 4 2 40.52 3.60 2.2262 1 3 0 2 40.88 1.97 2.2073 -2 0 4 2 41.68 1.55 2.1670 0 -3 3 2 41.94 2.27 2.1542 1 -3 2 2 42.25 2.89 2.1391 1 0 4 2 43.24 9.07 2.0924 2 -2 2 2 43.27 8.34 2.0911 2 2 1 2 43.60 1.91 2.0757 -1 -1 5 2 43.73 1.70 2.0698 -3 0 1 2 44.01 2.04 2.0574 -1 0 5 2 44.16 2.29 2.0507 0 3 2 2 45.09 10.96 2.0107 2 0 3 2 45.10 1.73 2.0104 3 0 0 2 46.77 10.20 1.9422 -3 0 3 2 46.78 5.51 1.9420 -1 2 4 2 46.80 4.92 1.9413 -1 -2 5 2 47.01 3.00 1.9329 0 -3 4 2 47.57 17.54 1.9116 0 2 4 2 47.57 18.50 1.9115 0 -2 5 2 47.94 1.84 1.8975 -1 1 5 2 48.53 1.57 1.8760 2 -2 3 2 48.55 1.72 1.8751 2 2 2 2 48.61 1.02 1.8731 2 1 3 2 48.97 28.75 1.8600 0 -4 1 2 50.17 2.58 1.8184 0 3 3 2 50.28 1.14 1.8148 -2 3 2 2 50.48 19.68 1.8080 -3 2 1 2 50.52 19.80 1.8067 -3 -2 2 2 50.98 16.03 1.7913 -2 2 4 2 51.01 16.61 1.7904 -2 -2 5 2 51.37 4.57 1.7788 1 0 5 2 51.86 3.45 1.7629 -3 2 2 2 51.90 3.48 1.7617 -3 -2 3 2 52.23 1.27 1.7515 -2 -3 4 2 52.82 1.18 1.7331 2 0 4 2 52.91 2.56 1.7306 3 -2 1 2 52.95 2.70 1.7294 3 2 0 2 53.01 5.42 1.7275 3 0 2 2 53.17 1.35 1.7226 1 -2 5 2 53.18 1.59 1.7223 1 2 4 2 53.23 15.79 1.7209 -1 0 6 2 53.62 1.01 1.7093 0 -3 5 2 54.46 1.05 1.6847 -2 3 3 2 54.82 3.17 1.6745 -1 2 5 2 54.84 3.21 1.6741 -1 -2 6 2 55.09 4.35 1.6672 2 -2 4 2 55.11 4.44 1.6665 2 2 3 2 56.11 1.28 1.6392 1 -4 3 2 56.13 1.28 1.6386 1 4 1 2 56.56 7.02 1.6271 3 -2 2 2 56.60 7.24 1.6261 3 2 1 2 56.63 6.82 1.6253 0 4 2 2 56.63 5.98 1.6252 0 -4 4 2 56.91 5.25 1.6181 -1 4 2 2 56.93 5.83 1.6174 -1 -4 4 2 57.78 1.32 1.5958 -2 4 0 2 57.82 1.39 1.5946 -2 -4 2 2 58.26 10.82 1.5837 2 -4 1 2 58.31 11.05 1.5825 -2 -4 1 2 59.06 5.28 1.5641 3 0 3 2 59.41 4.13 1.5558 -3 2 4 2 59.44 3.94 1.5550 -3 -2 5 2 59.78 2.24 1.5470 -4 0 1 2 59.87 1.02 1.5448 -3 3 2 2 60.68 1.47 1.5263 2 -3 4 2 60.72 5.02 1.5252 1 -4 4 2 60.74 4.70 1.5248 1 4 2 2 61.00 6.39 1.5189 1 0 6 2 61.01 8.30 1.5187 -4 0 3 2 61.50 7.75 1.5078 4 0 0 2 61.54 6.31 1.5070 -2 4 2 2 61.58 6.07 1.5059 -2 -4 4 2 61.85 2.20 1.5000 1 -2 6 2 61.86 2.14 1.4998 1 2 5 2 62.14 1.03 1.4938 0 4 3 2 62.14 1.13 1.4937 0 -4 5 2 62.69 5.63 1.4820 2 -2 5 2 62.71 5.57 1.4815 2 2 4 2 63.19 9.75 1.4715 -3 0 6 2 63.91 1.97 1.4566 -4 0 4 2 64.00 1.38 1.4548 2 3 3 2 64.99 2.27 1.4350 -2 0 7 2 65.12 2.25 1.4324 0 0 7 2 65.22 1.37 1.4306 -3 2 5 2 65.25 1.46 1.4299 -3 -2 6 2 65.50 1.47 1.4250 0 2 6 2 65.51 1.41 1.4249 0 -2 7 2 67.54 1.06 1.3870 2 -3 5 2 68.30 1.73 1.3733 4 -2 1 2 68.34 1.76 1.3725 4 2 0 2 68.73 2.15 1.3657 2 -4 4 2 68.77 2.43 1.3650 2 4 2 2 70.01 1.85 1.3439 -3 4 2 2 70.08 2.22 1.3428 -3 -4 4 2 71.15 3.04 1.3251 -4 2 4 2 71.20 3.30 1.3243 -4 -2 5 2 73.69 1.25 1.2857 1 -4 6 2 73.70 1.33 1.2854 1 4 4 2 74.45 2.55 1.2744 3 0 5 2 74.88 3.36 1.2681 -2 2 7 2 74.90 3.36 1.2678 -2 -2 8 2 75.01 1.67 1.2662 3 -4 3 2 75.07 1.74 1.2654 3 4 1 2 75.21 4.21 1.2634 -1 4 5 2 75.24 4.32 1.2630 -1 -4 7 2 75.57 2.77 1.2582 0 2 7 2 75.58 2.68 1.2581 0 -2 8 2 79.50 4.27 1.2056 -1 6 0 2 79.54 4.09 1.2052 -1 -6 3 2 80.15 1.58 1.1975 3 -4 4 2 80.21 1.54 1.1967 3 4 2 2 80.59 1.01 1.1920 -4 0 7 2 80.75 1.16 1.1901 2 -2 7 2 80.77 1.16 1.1899 2 2 6 2 80.95 1.07 1.1876 2 0 7 2 81.16 2.81 1.1851 1 -6 3 2 81.19 3.08 1.1848 1 6 0 2 81.82 1.48 1.1773 -5 2 2 2 81.82 2.81 1.1772 -5 2 1 2 81.85 2.86 1.1769 -4 4 2 2 81.87 1.58 1.1766 -5 -2 3 2 81.87 2.08 1.1766 1 -4 7 2 81.88 2.86 1.1765 -5 -2 2 2 81.89 2.13 1.1764 1 4 5 2 81.93 2.74 1.1759 -4 -4 4 2 82.28 2.36 1.1718 4 -4 1 2 82.36 2.54 1.1708 -4 -4 1 2 83.45 2.43 1.1583 4 -2 4 2 83.49 2.52 1.1578 4 2 3 2 83.71 1.24 1.1554 3 0 6 2 83.80 3.35 1.1544 -3 4 5 2 83.86 3.38 1.1537 -3 -4 7 2 84.54 1.17 1.1461 -1 0 9 2 85.89 1.35 1.1316 -5 2 4 2 85.94 1.25 1.1310 -5 -2 5 2 87.59 2.68 1.1139 -5 0 6 2 87.65 2.32 1.1133 5 0 2 2 89.36 2.62 1.0964 -4 2 7 2 89.40 2.64 1.0960 -4 -2 8 2 89.75 1.25 1.0927 -3 0 9 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.