O17 P4 Pb2 V3 Leclaire A, Chardon J, Grandin A, Borel M, Raveau B Journal of Solid State Chemistry 108 (1994) 291-298 The monophosphate Pb2V2VO(PO4)4: a tunnel structure with the mixed valence V(III)-V(IV) _cod_database_code 1001616 _database_code_amcsd 0013794 CELL PARAMETERS: 17.7470 18.0510 9.3440 90.000 117.030 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 2666.389 Density (g/cm3): 4.798 MAX. ABS. INTENSITY / VOLUME**2: 18.95727431 RIR: 1.287 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.43 57.08 11.8926 1 1 0 4 9.80 66.95 9.0255 0 2 0 2 10.69 9.14 8.2768 -1 1 1 4 11.19 34.44 7.9042 2 0 0 2 14.48 1.52 6.1187 0 2 1 4 14.90 25.50 5.9463 2 2 0 4 14.93 10.29 5.9326 1 1 1 4 15.06 11.46 5.8822 -2 2 1 4 15.76 16.15 5.6234 1 3 0 4 16.05 30.51 5.5221 -3 1 1 4 17.53 2.02 5.0584 3 1 0 4 19.06 2.44 4.6568 -2 0 2 2 20.05 63.01 4.4284 -1 1 2 4 20.44 6.04 4.3452 1 3 1 4 20.90 9.94 4.2496 -3 1 2 4 21.12 62.62 4.2058 2 2 1 4 21.28 74.59 4.1759 -3 3 1 4 21.35 39.43 4.1617 0 0 2 2 21.47 74.98 4.1384 -2 2 2 4 22.33 10.22 3.9808 -4 2 1 4 22.41 5.06 3.9672 0 4 1 4 22.43 22.05 3.9642 3 3 0 4 22.69 26.89 3.9190 2 4 0 4 22.93 8.09 3.8778 -4 0 2 2 23.54 16.83 3.7793 0 2 2 4 24.25 6.23 3.6701 3 1 1 4 24.47 1.84 3.6383 -1 3 2 4 24.59 20.26 3.6202 4 2 0 4 24.97 4.13 3.5663 1 1 2 4 24.99 22.03 3.5629 -4 2 2 4 25.18 13.71 3.5372 -3 3 2 4 25.30 18.68 3.5196 1 5 0 4 25.67 6.75 3.4710 -5 1 1 4 26.48 44.38 3.3662 -1 5 1 4 27.01 28.78 3.3011 -5 1 2 4 27.52 32.45 3.2407 -2 4 2 4 28.05 61.79 3.1815 3 3 1 4 28.21 100.00 3.1634 -4 4 1 4 28.42 7.25 3.1408 2 0 2 2 28.52 47.18 3.1301 1 5 1 4 28.66 44.65 3.1143 5 1 0 4 28.67 20.25 3.1132 1 3 2 4 29.19 28.15 3.0596 -3 1 3 4 29.29 5.93 3.0492 -5 3 1 4 29.69 3.08 3.0085 0 6 0 2 30.00 4.34 2.9783 3 5 0 4 30.06 59.65 2.9731 4 4 0 4 30.13 72.00 2.9663 2 2 2 4 30.39 40.59 2.9411 -4 4 2 4 30.49 5.14 2.9321 -5 3 2 4 30.54 65.14 2.9267 -2 2 3 4 30.83 24.31 2.9001 -6 0 2 2 31.41 10.89 2.8476 -4 2 3 4 31.59 10.48 2.8324 -1 5 2 4 31.62 1.00 2.8293 0 6 1 4 31.83 23.64 2.8117 2 6 0 4 31.91 32.03 2.8049 -2 6 1 4 31.98 2.12 2.7988 5 3 0 4 32.19 19.12 2.7808 -6 2 1 4 32.20 1.54 2.7799 -5 1 3 4 32.43 36.40 2.7611 -6 2 2 4 32.45 17.14 2.7589 -3 3 3 4 33.32 3.43 2.6893 3 1 2 4 33.63 4.83 2.6649 -1 3 3 4 34.03 11.78 2.6347 6 0 0 2 34.80 3.97 2.5779 2 4 2 4 34.99 10.70 2.5643 5 1 1 4 35.02 11.58 2.5626 1 5 2 4 35.21 5.28 2.5486 -5 3 3 4 35.26 4.63 2.5451 1 7 0 4 35.31 4.96 2.5421 2 6 1 4 35.49 10.66 2.5292 6 2 0 4 35.52 10.77 2.5270 -2 6 2 4 35.53 3.51 2.5265 -5 5 1 4 35.65 1.97 2.5181 1 1 3 4 35.94 1.46 2.4989 -4 4 3 4 35.94 3.06 2.4987 -7 1 2 4 36.07 2.93 2.4898 -4 6 1 4 36.14 7.27 2.4853 -6 2 3 4 36.14 18.92 2.4852 -1 7 1 4 36.25 15.02 2.4783 3 3 2 4 36.52 4.93 2.4602 -7 1 1 4 36.55 2.53 2.4587 -5 5 2 4 36.87 2.21 2.4381 0 6 2 4 37.57 2.60 2.3938 4 6 0 4 37.71 35.45 2.3855 1 7 1 4 37.81 1.15 2.3794 5 3 1 4 37.85 3.58 2.3770 -4 6 2 4 37.85 3.17 2.3768 4 0 2 2 38.07 9.07 2.3635 0 4 3 4 38.43 1.51 2.3424 1 3 3 4 38.62 10.33 2.3313 -7 1 3 4 38.67 4.85 2.3284 -4 0 4 2 38.70 3.11 2.3267 -7 3 2 4 38.88 1.29 2.3162 3 7 0 4 38.96 1.07 2.3116 -3 1 4 4 39.20 4.92 2.2984 4 2 2 4 39.25 1.23 2.2955 -7 3 1 4 39.26 3.07 2.2947 -1 5 3 4 39.90 1.55 2.2593 -5 1 4 4 39.96 2.81 2.2564 0 8 0 2 39.99 5.59 2.2546 -4 2 4 4 40.16 14.66 2.2456 -1 7 2 4 40.24 17.33 2.2409 7 1 0 4 40.30 9.63 2.2381 2 2 3 4 40.66 6.43 2.2192 -5 5 3 4 40.68 4.67 2.2178 -8 0 2 2 40.75 2.20 2.2142 -2 2 4 4 41.23 1.45 2.1898 -7 3 3 4 41.30 11.52 2.1862 -6 0 4 2 41.42 17.07 2.1801 -1 1 4 4 41.57 9.39 2.1723 3 5 2 4 41.60 1.76 2.1708 6 2 1 4 41.88 10.64 2.1569 -2 6 3 4 41.95 6.54 2.1537 -8 2 2 4 42.05 2.19 2.1488 4 6 1 4 42.44 7.71 2.1298 -5 3 4 4 42.55 6.65 2.1248 -6 2 4 4 42.55 1.19 2.1246 -4 6 3 4 42.55 1.21 2.1245 3 7 1 4 42.77 1.52 2.1143 7 3 0 4 43.01 22.65 2.1029 4 4 2 4 43.15 3.63 2.0965 -6 6 1 4 43.15 4.51 2.0964 -8 2 1 4 43.39 8.19 2.0855 5 1 2 4 43.43 5.19 2.0837 -5 7 1 4 43.49 19.93 2.0808 0 0 4 2 43.51 1.88 2.0799 3 1 3 4 43.53 8.77 2.0790 1 5 3 4 43.64 5.99 2.0739 -8 2 3 4 43.75 26.44 2.0692 -4 4 4 4 43.77 2.20 2.0680 -7 5 2 4 44.27 11.48 2.0460 -7 5 1 4 44.29 7.47 2.0452 -5 7 2 4 44.42 2.96 2.0396 0 6 3 4 44.46 13.40 2.0378 -2 4 4 4 44.69 3.11 2.0276 0 2 4 4 45.08 1.96 2.0111 -4 8 1 4 45.38 7.32 1.9983 5 7 0 4 45.59 1.26 1.9897 1 9 0 4 45.74 9.71 1.9836 0 8 2 4 45.78 1.60 1.9821 6 6 0 4 45.89 7.70 1.9775 3 3 3 4 45.93 5.58 1.9761 8 0 0 2 46.07 16.10 1.9701 -7 5 3 4 46.30 15.02 1.9607 -6 6 3 4 46.31 1.50 1.9607 -1 9 1 4 46.34 7.44 1.9595 4 8 0 4 46.41 1.70 1.9565 -7 3 4 4 46.48 2.28 1.9539 7 1 1 4 46.57 1.04 1.9503 -4 8 2 4 46.63 6.21 1.9478 -1 7 3 4 46.70 5.94 1.9449 -8 4 1 4 46.82 1.38 1.9402 1 1 4 4 46.86 8.35 1.9389 -8 0 4 2 47.08 2.58 1.9303 8 2 0 4 47.19 2.42 1.9261 -5 5 4 4 47.49 1.87 1.9146 7 5 0 4 47.59 1.96 1.9106 1 9 1 4 47.85 6.47 1.9010 -5 7 3 4 47.99 6.16 1.8957 -8 2 4 4 48.00 15.79 1.8955 -3 9 1 4 48.10 1.04 1.8917 -9 1 1 4 48.52 2.67 1.8763 -1 5 4 4 48.57 1.18 1.8745 3 9 0 4 48.58 2.14 1.8742 6 0 2 2 48.62 10.16 1.8727 -9 3 2 4 48.74 1.97 1.8683 7 3 1 4 49.08 6.45 1.8563 1 3 4 4 49.50 1.43 1.8413 -4 6 4 4 49.52 1.03 1.8407 -9 3 3 4 49.63 6.92 1.8370 -3 1 5 4 49.87 5.68 1.8288 -4 2 5 4 50.03 1.25 1.8230 -3 9 2 4 50.15 1.95 1.8190 2 0 4 2 50.18 2.58 1.8182 4 8 1 4 50.40 9.14 1.8107 1 7 3 4 50.41 1.28 1.8101 8 4 0 4 50.87 42.36 1.7948 6 6 1 4 51.06 10.20 1.7888 -7 7 1 4 51.17 1.03 1.7852 -8 6 2 4 51.30 3.63 1.7809 -6 8 2 4 51.35 1.34 1.7794 -5 3 5 4 51.56 2.01 1.7727 -7 1 5 4 51.68 13.02 1.7686 -6 6 4 4 51.69 13.44 1.7684 3 9 1 4 51.79 3.91 1.7653 -3 3 5 4 51.96 1.14 1.7598 2 10 0 4 52.02 11.99 1.7581 -2 10 1 4 52.22 4.40 1.7516 4 4 3 4 52.26 1.95 1.7505 0 8 3 4 52.45 5.16 1.7447 -5 9 1 4 52.63 2.18 1.7389 -8 6 3 4 52.68 6.24 1.7374 -7 7 3 4 52.74 5.24 1.7355 -10 2 2 4 52.92 4.43 1.7303 -9 3 4 4 52.94 5.58 1.7297 -9 5 2 4 53.01 7.64 1.7275 -10 2 3 4 53.05 2.59 1.7262 7 5 1 4 53.14 4.75 1.7235 5 1 3 4 53.20 2.65 1.7219 -5 9 2 4 53.26 2.57 1.7199 8 2 1 4 53.37 5.84 1.7167 1 5 4 4 53.47 1.17 1.7138 6 8 0 4 53.55 1.03 1.7114 0 6 4 4 53.79 1.17 1.7044 -9 5 3 4 54.15 1.65 1.6936 5 9 0 4 54.37 9.70 1.6875 2 10 1 4 54.42 14.17 1.6861 9 3 0 4 54.47 11.04 1.6847 -3 9 3 4 54.51 2.81 1.6833 -8 2 5 4 54.52 1.09 1.6831 -2 10 2 4 54.57 6.57 1.6817 7 1 2 4 54.91 4.76 1.6720 -1 7 4 4 54.92 2.26 1.6718 -10 2 1 4 54.93 1.62 1.6714 -1 3 5 4 55.20 1.12 1.6639 5 3 3 4 55.25 2.48 1.6626 -1 9 3 4 55.51 1.45 1.6554 -5 5 5 4 55.69 1.31 1.6505 -10 2 4 4 55.83 8.50 1.6466 -10 4 2 4 56.33 2.38 1.6332 -5 9 3 4 56.46 1.18 1.6298 -8 6 4 4 56.52 1.73 1.6282 -9 1 5 4 56.52 3.54 1.6282 5 7 2 4 56.54 6.72 1.6276 3 3 4 4 56.60 1.27 1.6262 7 3 2 4 56.82 6.31 1.6204 -4 8 4 4 56.98 1.28 1.6161 -1 11 1 4 57.00 2.74 1.6156 -9 5 4 4 57.06 1.22 1.6142 2 8 3 4 57.49 1.74 1.6029 -11 1 3 4 57.54 3.65 1.6018 -8 4 5 4 57.71 5.09 1.5974 -7 5 5 4 57.80 3.57 1.5951 -11 1 2 4 58.07 1.24 1.5884 6 8 1 4 58.17 2.51 1.5859 5 9 1 4 58.34 16.34 1.5817 -8 8 2 4 58.43 3.03 1.5795 9 5 0 4 58.45 8.46 1.5790 -3 11 1 4 58.50 2.31 1.5777 -9 3 5 4 58.67 8.38 1.5735 -10 4 4 4 58.81 5.39 1.5701 -6 8 4 4 59.10 4.50 1.5632 7 7 1 4 59.20 3.06 1.5606 6 2 3 4 59.29 2.09 1.5585 -8 8 1 4 59.37 1.18 1.5566 2 6 4 4 59.46 3.83 1.5546 -11 3 3 4 59.50 1.76 1.5537 -11 1 4 4 59.56 3.67 1.5523 -6 0 6 2 59.76 1.02 1.5475 -11 3 2 4 59.79 2.25 1.5468 -4 10 3 4 59.81 8.71 1.5462 -2 6 5 4 60.40 1.50 1.5327 -11 1 1 4 60.40 1.47 1.5325 -6 10 2 4 60.47 5.89 1.5311 3 5 4 4 60.48 1.77 1.5308 -9 7 1 4 60.52 5.03 1.5298 -6 2 6 4 60.53 2.45 1.5297 0 8 4 4 60.63 1.41 1.5274 -7 1 6 4 60.99 1.90 1.5191 -10 6 3 4 61.40 2.06 1.5100 -5 7 5 4 61.52 4.99 1.5074 -5 3 6 4 61.62 4.69 1.5051 -5 9 4 4 61.66 3.64 1.5042 0 12 0 2 61.71 1.72 1.5033 3 11 1 4 61.83 2.29 1.5005 -8 0 6 2 62.22 2.39 1.4920 10 4 0 4 62.35 1.54 1.4893 -9 5 5 4 62.37 3.59 1.4888 -8 6 5 4 62.38 3.17 1.4886 -5 11 1 4 62.64 3.76 1.4831 4 4 4 4 62.74 1.39 1.4810 -1 9 4 4 62.77 1.29 1.4803 0 12 1 4 62.78 1.90 1.4802 -8 2 6 4 62.91 8.89 1.4773 2 2 5 4 62.97 2.00 1.4761 -3 3 6 4 63.05 1.15 1.4743 -5 11 2 4 63.43 3.58 1.4664 -2 2 6 4 63.47 5.17 1.4656 -7 7 5 4 63.58 4.32 1.4633 -4 4 6 4 63.79 1.37 1.4591 -12 2 3 4 63.91 1.92 1.4566 0 6 5 4 63.92 1.82 1.4565 5 11 0 4 63.98 4.60 1.4552 5 1 4 4 64.06 4.04 1.4536 4 8 3 4 64.07 2.67 1.4533 8 4 2 4 64.10 1.26 1.4528 -9 1 6 4 64.20 7.02 1.4508 -3 11 3 4 64.22 1.93 1.4503 5 9 2 4 64.27 2.59 1.4492 1 5 5 4 64.32 3.86 1.4484 3 9 3 4 64.37 1.72 1.4472 9 5 1 4 64.96 5.46 1.4355 -1 1 6 4 65.11 1.51 1.4326 11 1 0 4 65.16 1.57 1.4317 -12 2 4 4 65.52 3.25 1.4246 -11 3 5 4 65.64 7.09 1.4224 2 10 3 4 65.76 2.97 1.4200 10 2 1 4 65.82 1.07 1.4188 5 3 4 4 65.89 4.24 1.4175 -5 11 3 4 65.94 1.11 1.4165 -9 3 6 4 65.97 1.08 1.4161 7 3 3 4 66.04 3.17 1.4147 0 12 2 4 66.08 1.18 1.4139 3 7 4 4 66.20 3.06 1.4116 -2 4 6 4 66.52 1.17 1.4057 -9 9 2 4 66.66 1.57 1.4030 -3 5 6 4 66.72 1.40 1.4019 6 6 3 4 66.94 1.65 1.3978 11 3 0 4 67.26 2.50 1.3920 -9 9 3 4 67.26 1.14 1.3919 -10 8 2 4 67.37 1.91 1.3900 -10 2 6 4 67.57 2.02 1.3863 5 11 1 4 67.71 3.33 1.3839 -8 10 1 4 67.71 1.93 1.3838 8 8 1 4 68.07 1.68 1.3774 -8 10 3 4 68.30 2.88 1.3734 -1 13 1 4 68.56 6.84 1.3687 9 3 2 4 68.64 1.20 1.3673 -12 2 5 4 69.15 5.23 1.3585 -3 9 5 4 69.15 1.06 1.3584 -10 8 1 4 69.31 1.89 1.3558 1 13 1 4 69.60 1.27 1.3508 4 12 1 4 69.73 1.64 1.3487 1 7 5 4 69.82 2.20 1.3471 -13 1 4 4 69.83 1.07 1.3469 -10 8 4 4 70.06 5.35 1.3430 -10 4 6 4 70.10 1.58 1.3423 -9 9 4 4 70.24 1.16 1.3401 -12 4 1 4 70.27 1.78 1.3396 0 8 5 4 70.28 3.58 1.3394 -13 1 2 4 70.53 1.18 1.3353 -6 12 2 4 71.04 3.77 1.3269 -12 6 3 4 71.31 1.27 1.3225 -12 4 5 4 71.83 1.02 1.3143 -1 9 5 4 72.17 1.39 1.3089 4 10 3 4 72.63 1.73 1.3017 -4 2 7 4 72.81 1.35 1.2989 1 3 6 4 72.88 1.69 1.2979 -4 10 5 4 72.96 1.19 1.2967 6 8 3 4 73.28 1.53 1.2918 -9 1 7 4 73.40 3.14 1.2900 8 4 3 4 73.43 1.10 1.2896 -3 1 7 4 73.47 5.17 1.2889 4 8 4 4 74.10 1.43 1.2796 -12 2 6 4 74.14 2.05 1.2789 -6 8 6 4 74.57 2.27 1.2725 2 14 0 4 74.62 4.15 1.2718 -12 6 1 4 74.66 2.70 1.2713 5 13 0 4 74.72 1.57 1.2705 5 7 4 4 74.80 2.62 1.2692 8 8 2 4 74.83 1.14 1.2688 -9 7 6 4 74.94 2.40 1.2672 -9 9 5 4 75.00 2.50 1.2664 7 1 4 4 75.15 2.12 1.2642 -8 4 7 4 75.34 2.21 1.2615 -14 0 4 2 75.43 2.03 1.2602 -10 10 3 4 75.58 3.13 1.2580 -1 13 3 4 75.64 2.69 1.2572 8 10 1 4 75.67 2.65 1.2568 -12 6 5 4 75.79 2.37 1.2552 -11 9 3 4 76.08 1.52 1.2511 -9 11 3 4 76.27 1.44 1.2484 -7 5 7 4 76.32 1.22 1.2478 -5 5 7 4 76.56 1.93 1.2444 2 14 1 4 76.69 1.06 1.2426 -2 14 2 4 76.94 1.17 1.2392 -6 12 4 4 76.95 1.10 1.2391 6 6 4 4 77.02 2.94 1.2381 -10 10 1 4 77.57 1.73 1.2308 -13 1 6 4 77.88 2.66 1.2266 -3 11 5 4 78.34 1.38 1.2206 -11 9 1 4 78.45 2.98 1.2191 0 12 4 4 78.48 2.75 1.2187 1 13 3 4 78.90 4.86 1.2133 13 1 0 4 78.95 1.47 1.2126 10 8 1 4 79.00 2.76 1.2120 -7 13 1 4 79.43 2.12 1.2064 -8 6 7 4 79.45 1.31 1.2063 -11 3 7 4 80.19 1.63 1.1969 8 12 0 4 80.21 1.30 1.1967 -11 7 6 4 80.22 1.63 1.1966 -13 7 4 4 80.30 4.12 1.1956 -7 13 3 4 80.47 1.22 1.1935 -1 15 1 4 80.62 1.54 1.1917 -12 8 1 4 80.66 1.67 1.1912 -13 7 2 4 80.67 1.03 1.1911 5 11 3 4 80.74 2.85 1.1901 -2 14 3 4 80.86 1.82 1.1888 3 3 6 4 81.28 2.41 1.1837 -11 9 5 4 81.38 2.98 1.1824 -7 7 7 4 81.43 1.03 1.1819 1 15 1 4 81.43 1.05 1.1818 -5 7 7 4 81.84 1.18 1.1770 7 11 2 4 81.88 1.48 1.1764 -10 10 5 4 81.96 2.79 1.1755 -14 0 6 2 82.05 1.66 1.1745 11 7 1 4 82.16 1.34 1.1732 3 15 0 4 82.81 1.57 1.1657 -14 2 6 4 82.88 2.80 1.1648 -2 6 7 4 82.98 1.26 1.1637 -13 7 5 4 83.46 2.40 1.1582 -9 11 5 4 83.46 1.45 1.1582 5 13 2 4 83.73 1.04 1.1551 4 0 6 2 83.96 1.87 1.1525 2 10 5 4 84.23 2.57 1.1496 3 5 6 4 84.26 1.43 1.1492 8 4 4 4 85.19 1.29 1.1390 7 7 4 4 85.43 1.06 1.1364 -4 8 7 4 86.10 2.55 1.1294 12 6 1 4 86.54 1.94 1.1247 10 10 1 4 87.17 2.21 1.1182 12 0 2 2 87.29 1.39 1.1170 6 14 1 4 87.38 2.88 1.1161 0 12 5 4 87.65 1.05 1.1133 -5 13 5 4 88.40 1.77 1.1058 0 6 7 4 88.73 3.11 1.1025 6 6 5 4 89.23 1.37 1.0977 5 1 6 4 89.32 1.45 1.0967 9 3 4 4 89.34 1.63 1.0965 -13 5 7 4 89.35 1.12 1.0965 -2 16 2 4 89.49 1.71 1.0951 -7 13 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.