Phosphuranylite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130108 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 _database_code_amcsd 0006412 CELL PARAMETERS: 15.8790 17.3200 13.7700 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: 94.81090215 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.50 21.69 10.4032 1 0 1 9.92 4.97 8.9181 1 1 1 10.21 4.11 8.6600 0 2 0 11.14 100.00 7.9395 2 0 0 12.86 4.52 6.8850 0 0 2 13.30 3.71 6.6557 1 2 1 13.84 5.39 6.3980 0 1 2 15.14 45.97 5.8522 2 2 0 16.45 3.25 5.3893 0 2 2 17.05 2.70 5.2016 2 0 2 17.80 6.38 4.9818 2 1 2 18.68 11.30 4.7511 3 1 1 19.91 6.23 4.4591 2 2 2 20.07 23.22 4.4239 0 3 2 20.70 9.47 4.2913 3 2 1 20.79 1.76 4.2732 1 1 3 22.24 7.10 3.9976 1 4 1 22.40 36.29 3.9697 4 0 0 22.63 3.37 3.9294 1 2 3 23.01 29.16 3.8645 2 3 2 23.40 14.41 3.8014 2 4 0 24.28 2.80 3.6654 0 4 2 25.69 4.42 3.4677 3 0 3 25.88 17.84 3.4425 0 0 4 26.21 5.64 3.4002 3 1 3 26.42 10.16 3.3732 4 1 2 27.71 1.00 3.2192 3 2 3 27.89 7.58 3.1990 0 2 4 28.26 51.54 3.1584 2 0 4 28.85 5.27 3.0946 5 0 1 28.85 42.75 3.0944 0 5 2 29.32 5.89 3.0463 5 1 1 30.12 1.20 2.9672 2 2 4 30.25 11.62 2.9546 4 3 2 30.55 1.51 2.9261 4 4 0 31.02 46.94 2.8832 2 5 2 31.54 1.43 2.8363 3 5 1 33.10 3.38 2.7067 3 4 3 33.25 1.68 2.6947 0 4 4 33.27 1.27 2.6930 4 4 2 33.87 1.19 2.6465 6 0 0 34.49 4.14 2.6008 4 0 4 34.64 2.65 2.5894 1 2 5 34.74 2.91 2.5824 5 1 3 35.57 2.04 2.5240 2 6 2 35.66 5.50 2.5177 5 4 1 35.92 2.41 2.5004 5 2 3 36.03 5.87 2.4924 3 6 1 36.06 6.76 2.4909 4 2 4 36.75 6.17 2.4455 6 1 2 36.83 11.82 2.4405 4 5 2 37.23 1.08 2.4152 1 6 3 39.69 2.33 2.2711 6 3 2 39.92 4.01 2.2581 6 4 0 40.37 1.64 2.2344 2 7 2 40.46 7.75 2.2295 4 4 4 40.64 3.76 2.2198 7 1 1 40.79 1.01 2.2124 3 7 1 41.28 1.46 2.1871 2 1 6 41.68 3.63 2.1670 7 2 1 41.72 7.34 2.1650 0 8 0 42.38 3.99 2.1327 0 3 6 42.48 5.53 2.1278 3 4 5 42.66 1.17 2.1196 1 8 1 43.11 9.32 2.0981 6 0 4 43.32 5.49 2.0887 2 8 0 43.96 9.72 2.0597 2 3 6 44.80 2.81 2.0231 5 2 5 44.88 1.86 2.0198 7 1 3 45.08 6.88 2.0113 6 5 2 45.71 2.21 1.9849 8 0 0 45.90 2.17 1.9771 1 6 5 45.98 1.92 1.9739 4 1 6 46.21 1.39 1.9647 2 4 6 46.56 1.26 1.9507 6 6 0 46.91 2.32 1.9367 5 6 3 47.53 10.45 1.9132 0 5 6 47.86 4.94 1.9007 4 8 0 47.99 8.42 1.8957 8 1 2 48.20 1.98 1.8882 6 4 4 48.45 3.18 1.8787 4 3 6 48.97 13.35 1.8600 2 5 6 49.52 3.29 1.8407 7 4 3 49.73 1.42 1.8336 3 1 7 49.75 2.75 1.8327 0 8 4 50.39 1.07 1.8109 8 3 2 50.57 2.84 1.8049 2 9 2 50.59 2.00 1.8043 8 4 0 51.15 8.34 1.7857 2 8 4 51.52 1.21 1.7740 5 8 1 51.68 3.43 1.7688 7 6 1 52.56 1.09 1.7412 9 1 1 52.86 1.91 1.7320 0 10 0 53.08 3.05 1.7252 6 1 6 53.14 7.37 1.7235 4 5 6 53.22 3.90 1.7213 0 0 8 54.03 2.65 1.6972 6 6 4 54.20 5.20 1.6922 2 10 0 54.35 3.17 1.6879 5 6 5 54.55 3.25 1.6822 2 0 8 54.65 2.62 1.6794 4 9 2 54.96 1.28 1.6707 8 5 2 55.20 2.38 1.6639 4 8 4 55.32 1.82 1.6606 6 3 6 55.66 1.86 1.6513 2 2 8 56.24 1.96 1.6355 8 6 0 56.71 2.45 1.6232 7 4 5 56.74 2.24 1.6225 9 4 1 57.68 6.71 1.5981 8 4 4 58.44 4.11 1.5792 4 0 8 58.90 1.73 1.5680 2 4 8 59.23 1.09 1.5600 5 4 7 59.63 2.44 1.5505 6 5 6 59.77 4.86 1.5472 0 10 4 60.03 5.05 1.5411 10 1 2 61.01 3.03 1.5186 2 10 4 61.04 2.12 1.5181 6 9 2 61.55 3.35 1.5067 6 8 4 62.05 2.51 1.4957 8 1 6 62.28 3.42 1.4908 10 4 0 62.91 1.52 1.4773 8 6 4 64.27 1.25 1.4492 6 10 0 64.66 3.84 1.4416 4 10 4 67.30 1.13 1.3913 10 6 0 67.79 1.68 1.3823 4 9 6 68.55 2.66 1.3689 6 4 8 68.60 2.84 1.3680 10 4 4 69.37 2.88 1.3547 8 9 2 69.81 1.58 1.3473 0 8 8 70.95 1.26 1.3283 2 8 8 72.22 1.66 1.3080 0 13 2 72.61 2.29 1.3021 10 1 6 73.01 2.44 1.2958 12 1 2 73.36 2.61 1.2906 2 13 2 73.40 2.15 1.2899 10 6 4 73.52 1.19 1.2882 6 9 6 74.09 1.57 1.2796 0 5 10 74.35 2.34 1.2758 4 8 8 75.21 2.96 1.2633 2 5 10 76.49 1.02 1.2454 8 4 8 76.71 1.54 1.2423 4 13 2 78.54 1.91 1.2179 4 5 10 79.41 2.85 1.2067 2 10 8 79.48 2.99 1.2059 10 9 2 80.94 2.75 1.1878 12 4 4 81.11 1.44 1.1856 8 6 8 81.28 1.83 1.1837 8 9 6 82.21 1.26 1.1726 6 13 2 83.99 1.05 1.1522 0 13 6 84.02 1.11 1.1519 2 14 4 84.75 1.30 1.1438 12 1 6 85.08 1.66 1.1403 2 13 6 85.50 1.70 1.1357 2 0 12 86.13 1.08 1.1290 8 1 10 86.30 1.29 1.1272 2 15 2 86.33 2.20 1.1269 10 4 8 87.31 1.09 1.1168 14 1 2 88.32 1.36 1.1066 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.