Phosphuranylite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050470 Piret P, Piret-Meunier J European Journal of Mineralogy 3 (1991) 69-77 Composition chimique et structure cristalline de la phosphuranylite Ca(UO2)[(UO2)3(OH)2(PO4)2]2.12H2O CELL PARAMETERS: 15.8060 17.2910 13.6550 90.000 90.000 90.000 SPACE GROUP: Bmmb ATOM X Y Z OCCUPANCY ISO(B) U 0.20950 0.25000 0.11580 1.000 0.869 U 0.24390 0.13990 0.37260 1.000 0.790 P 0.18760 0.06090 0.12290 1.000 0.237 O 0.32500 0.25000 0.13700 1.000 2.448 O 0.09500 0.25000 0.10300 1.000 1.026 O 0.34900 0.14300 0.32000 1.000 2.842 O 0.13900 0.13000 0.41500 1.000 2.290 O 0.20900 0.11700 0.03500 1.000 1.816 O 0.19800 0.11300 0.21500 1.000 2.053 O 0.24600 0.00500 0.37400 1.000 1.579 O 0.09800 0.02800 0.11000 1.000 2.842 OH 0.19800 0.25000 0.29400 1.000 3.237 OH 0.26700 0.25000 0.45300 1.000 1.000 Wa 0.50000 0.25000 0.22700 1.000 3.474 Wa 0.50000 0.25000 0.42000 1.000 3.869 Wa 0.50000 0.25000 0.80000 1.000 11.370 U 0.50000 0.00000 0.50000 1.000 1.421 Ca 0.50000 0.08200 -0.03100 0.500 1.658 O 0.50000 0.09500 0.45700 1.000 1.816 Wa 0.50000 0.07800 -0.21500 0.500 2.369 Wa 0.50000 -0.07200 0.22000 0.500 2.369 Wa 0.41100 0.02900 0.09800 0.500 2.369 Wa 0.41200 -0.04000 -0.07300 0.500 2.369 Wa 0.50000 0.21400 -0.00100 0.500 4.343 Wa 0.50000 -0.08400 -0.23200 0.500 2.369 Wa 0.50000 0.08000 0.25500 0.500 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 15 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 96.66864140 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.56 21.60 10.3330 1 0 1 9.97 4.97 8.8699 1 1 1 10.23 4.14 8.6455 0 2 0 11.20 100.00 7.9030 2 0 0 12.97 4.48 6.8275 0 0 2 13.35 3.71 6.6307 1 2 1 13.95 5.35 6.3504 0 1 2 15.19 46.09 5.8331 2 2 0 16.54 3.24 5.3582 0 2 2 17.16 2.68 5.1665 2 0 2 17.92 6.36 4.9502 2 1 2 18.77 11.28 4.7281 3 1 1 20.02 6.21 4.4349 2 2 2 20.16 23.21 4.4042 0 3 2 20.79 9.47 4.2731 3 2 1 20.95 1.75 4.2404 1 1 3 22.29 7.13 3.9879 1 4 1 22.50 36.24 3.9515 4 0 0 22.78 3.35 3.9029 1 2 3 23.12 29.13 3.8471 2 3 2 23.46 14.46 3.7925 2 4 0 24.37 2.80 3.6523 0 4 2 25.87 4.38 3.4443 3 0 3 26.10 17.63 3.4137 0 0 4 26.38 5.60 3.3780 3 1 3 26.57 10.12 3.3550 4 1 2 28.10 7.51 3.1752 0 2 4 28.48 50.99 3.1339 2 0 4 28.94 42.82 3.0850 0 5 2 28.99 5.25 3.0797 5 0 1 29.46 5.87 3.0320 5 1 1 30.34 1.20 2.9463 2 2 4 30.39 11.60 2.9412 4 3 2 30.65 1.52 2.9166 4 4 0 31.12 47.00 2.8738 2 5 2 31.63 1.43 2.8284 3 5 1 33.26 3.38 2.6938 3 4 3 33.41 1.26 2.6821 4 4 2 33.45 1.68 2.6791 0 4 4 34.03 1.19 2.6343 6 0 0 34.73 4.11 2.5833 4 0 4 34.92 2.62 2.5695 1 2 5 34.94 2.89 2.5676 5 1 3 35.67 2.04 2.5168 2 6 2 35.80 5.50 2.5083 5 4 1 36.12 2.40 2.4867 5 2 3 36.13 5.88 2.4861 3 6 1 36.30 6.71 2.4751 4 2 4 36.94 6.15 2.4333 6 1 2 36.97 11.82 2.4317 4 5 2 37.37 1.08 2.4065 1 6 3 39.88 2.33 2.2608 6 3 2 40.08 4.01 2.2495 6 4 0 40.48 1.64 2.2285 2 7 2 40.69 7.70 2.2175 4 4 4 40.84 3.74 2.2095 7 1 1 40.89 1.01 2.2071 3 7 1 41.63 1.44 2.1697 2 1 6 41.79 7.37 2.1614 0 8 0 41.88 3.61 2.1573 7 2 1 42.72 3.94 2.1168 0 3 6 42.74 1.17 2.1156 1 8 1 42.76 5.47 2.1147 3 4 5 43.39 9.23 2.0856 6 0 4 43.40 5.51 2.0848 2 8 0 44.30 9.58 2.0447 2 3 6 45.11 2.77 2.0100 5 2 5 45.13 1.85 2.0091 7 1 3 45.26 6.86 2.0033 6 5 2 45.93 2.20 1.9757 8 0 0 46.15 2.15 1.9669 1 6 5 46.34 1.90 1.9594 4 1 6 46.54 1.37 1.9514 2 4 6 46.72 1.26 1.9444 6 6 0 47.11 2.31 1.9290 5 6 3 47.85 10.33 1.9011 0 5 6 47.98 4.95 1.8962 4 8 0 48.24 8.37 1.8866 8 1 2 48.46 1.97 1.8784 6 4 4 48.81 3.14 1.8659 4 3 6 49.30 13.21 1.8484 2 5 6 49.77 3.27 1.8321 7 4 3 49.94 2.74 1.8261 0 8 4 50.15 1.39 1.8192 3 1 7 50.64 1.06 1.8027 8 3 2 50.70 2.84 1.8007 2 9 2 50.81 1.99 1.7970 8 4 0 51.35 8.32 1.7793 2 8 4 51.67 1.21 1.7692 5 8 1 51.88 3.42 1.7625 7 6 1 52.82 1.09 1.7331 9 1 1 52.96 1.92 1.7291 0 10 0 53.47 3.01 1.7137 6 1 6 53.49 7.29 1.7131 4 5 6 53.70 3.82 1.7069 0 0 8 54.30 2.63 1.6895 6 6 4 54.31 5.22 1.6891 2 10 0 54.65 3.14 1.6794 5 6 5 54.81 2.62 1.6750 4 9 2 55.04 3.20 1.6684 2 0 8 55.21 1.28 1.6638 8 5 2 55.43 2.37 1.6577 4 8 4 55.71 1.80 1.6501 6 3 6 56.15 1.83 1.6382 2 2 8 56.47 1.96 1.6296 8 6 0 57.00 2.23 1.6156 9 4 1 57.05 2.43 1.6143 7 4 5 58.00 6.66 1.5901 8 4 4 58.94 4.04 1.5669 4 0 8 59.38 1.70 1.5565 2 4 8 59.66 1.08 1.5497 5 4 7 59.97 4.86 1.5425 0 10 4 60.01 2.41 1.5416 6 5 6 60.35 5.01 1.5338 10 1 2 61.22 3.03 1.5139 2 10 4 61.24 2.12 1.5136 6 9 2 61.82 3.34 1.5008 6 8 4 62.48 2.48 1.4864 8 1 6 62.57 3.40 1.4845 10 4 0 63.23 1.51 1.4706 8 6 4 64.46 1.26 1.4455 6 10 0 64.89 3.83 1.4369 4 10 4 67.60 1.13 1.3858 10 6 0 68.14 1.67 1.3762 4 9 6 68.98 2.81 1.3613 10 4 4 69.08 2.62 1.3598 6 4 8 69.64 2.87 1.3502 8 9 2 70.27 1.57 1.3395 0 8 8 71.43 1.24 1.3207 2 8 8 72.39 1.67 1.3055 0 13 2 73.10 2.27 1.2946 10 1 6 73.42 2.43 1.2897 12 1 2 73.53 2.62 1.2881 2 13 2 73.79 2.14 1.2841 10 6 4 73.91 1.18 1.2824 6 9 6 74.74 1.55 1.2701 0 5 10 74.84 2.31 1.2686 4 8 8 75.87 2.92 1.2540 2 5 10 76.91 1.54 1.2396 4 13 2 77.06 1.01 1.2376 8 4 8 79.22 1.88 1.2092 4 5 10 79.82 2.98 1.2016 10 9 2 79.90 2.83 1.2006 2 10 8 81.42 2.74 1.1820 12 4 4 81.70 1.43 1.1787 8 6 8 81.72 1.82 1.1784 8 9 6 82.45 1.26 1.1698 6 13 2 84.28 1.11 1.1491 2 14 4 84.34 1.05 1.1483 0 13 6 85.33 1.29 1.1375 12 1 6 85.43 1.66 1.1364 2 13 6 86.39 1.67 1.1263 2 0 12 86.51 1.30 1.1251 2 15 2 86.90 1.06 1.1210 8 1 10 86.98 2.19 1.1201 10 4 8 87.82 1.09 1.1116 14 1 2 88.71 1.36 1.1027 4 13 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.