Kasolite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070155 Rosenzweig A, Ryan R R Crystal Structure Communications 6 (1977) 617-621 Kasolite, Pb(UO2)(SiO4)*H2O CELL PARAMETERS: 6.6910 6.9380 13.2300 90.000 104.150 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Pb 0.07540 0.07060 0.38210 1.000 1.634 U 0.47570 0.22990 0.17880 1.000 0.659 Si 0.40790 0.71200 0.07340 1.000 0.590 O 0.20500 0.27600 0.16600 1.000 1.000 O 0.25000 0.69700 0.30000 1.000 1.000 O 0.18000 0.63800 0.02600 1.000 1.100 O 0.45100 0.26700 0.00900 1.000 1.100 O 0.52600 0.55900 0.16700 1.000 0.600 O 0.41800 0.90300 0.14700 1.000 1.000 Wa 0.94000 0.93200 0.08900 1.000 3.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 79.80406791 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.65 18.82 6.4880 1 0 0 13.81 21.17 6.4143 0 0 2 14.51 63.57 6.1027 0 1 1 16.90 17.38 5.2477 -1 0 2 18.73 5.56 4.7388 1 1 0 18.77 8.31 4.7281 -1 1 1 18.84 9.16 4.7099 0 1 2 21.11 47.52 4.2077 1 1 1 21.23 66.39 4.1853 -1 1 2 21.73 30.39 4.0890 1 0 2 24.45 5.63 3.6403 0 1 3 25.28 70.22 3.5227 1 1 2 25.44 32.96 3.5008 -1 1 3 25.68 10.17 3.4690 0 2 0 26.62 24.91 3.3487 0 2 1 27.50 58.57 3.2440 2 0 0 27.61 53.80 3.2303 -2 0 2 27.82 30.96 3.2071 0 0 4 27.86 10.38 3.2029 -1 0 4 29.19 100.00 3.0592 1 2 0 29.22 3.26 3.0563 -1 2 1 29.27 13.30 3.0513 0 2 2 30.56 2.78 2.9255 1 1 3 30.71 59.03 2.9112 0 1 4 30.75 45.26 2.9080 -1 1 4 30.90 23.81 2.8939 -1 2 2 32.74 8.93 2.7356 2 1 1 32.94 13.31 2.7192 -2 1 3 33.26 5.77 2.6940 0 2 3 33.88 5.75 2.6460 2 0 2 34.08 2.18 2.6309 1 0 4 34.17 8.30 2.6238 -2 0 4 36.34 6.36 2.4723 2 1 2 36.53 8.95 2.4600 1 1 4 36.62 4.53 2.4542 -2 1 4 37.34 13.02 2.4081 -2 2 1 37.37 8.66 2.4064 0 1 5 37.98 4.66 2.3694 2 2 0 38.06 1.20 2.3640 -2 2 2 38.09 11.32 2.3625 1 2 3 38.22 3.74 2.3549 0 2 4 38.25 7.36 2.3532 -1 2 4 41.09 4.65 2.1966 -1 0 6 41.51 48.07 2.1756 0 3 2 41.77 6.64 2.1627 3 0 0 42.27 4.51 2.1381 0 0 6 42.70 4.81 2.1174 -3 1 1 42.76 3.98 2.1146 -3 1 2 42.98 6.98 2.1044 1 1 5 42.99 5.92 2.1039 2 2 2 43.16 5.83 2.0962 1 2 4 43.20 1.28 2.0941 -1 1 6 43.23 3.14 2.0927 -2 2 4 43.34 2.52 2.0879 -1 2 5 43.85 7.85 2.0647 3 1 0 43.89 2.12 2.0628 0 2 5 44.03 5.73 2.0567 -3 1 3 44.31 4.11 2.0445 2 0 4 44.33 8.54 2.0433 0 1 6 44.43 1.86 2.0390 -3 0 4 44.54 4.92 2.0342 0 3 3 44.70 9.48 2.0274 -2 0 6 46.13 4.75 1.9677 3 1 1 46.30 17.25 1.9611 2 1 4 46.42 15.63 1.9562 -3 1 4 46.68 12.90 1.9460 -2 1 6 47.05 3.89 1.9315 2 2 3 47.35 7.18 1.9199 -2 2 5 47.54 4.92 1.9126 3 0 2 47.94 13.41 1.8975 1 0 6 48.33 8.41 1.8831 2 3 0 48.41 11.39 1.8804 -2 3 2 48.43 1.75 1.8797 1 3 3 48.53 8.33 1.8758 0 3 4 48.56 7.29 1.8750 -1 3 4 48.69 21.02 1.8700 -3 2 2 49.09 5.43 1.8558 -1 2 6 49.43 10.22 1.8439 3 1 2 49.68 9.08 1.8352 3 2 0 49.81 2.31 1.8307 -3 1 5 49.94 1.58 1.8263 2 3 1 50.06 4.37 1.8222 -1 1 7 50.08 1.89 1.8214 -2 3 3 50.12 9.37 1.8201 0 2 6 51.58 1.20 1.7719 0 1 7 51.76 2.48 1.7661 3 2 1 52.27 3.30 1.7502 2 1 5 52.56 13.31 1.7413 2 3 2 52.68 4.92 1.7374 -2 1 7 52.70 18.18 1.7370 1 3 4 52.76 16.79 1.7349 -2 3 4 52.78 2.34 1.7345 0 4 0 52.85 1.95 1.7322 -1 3 5 54.07 3.63 1.6961 -3 1 6 54.78 8.26 1.6757 1 4 0 54.80 10.07 1.6752 -1 4 1 54.81 1.48 1.6749 3 2 2 54.83 2.02 1.6744 0 4 2 54.89 14.70 1.6727 -4 0 2 55.16 1.60 1.6650 -3 2 5 55.17 1.15 1.6647 1 2 6 55.39 1.98 1.6587 -1 2 7 55.57 12.29 1.6537 -1 0 8 55.77 2.13 1.6482 1 4 1 55.82 2.38 1.6469 -1 4 2 56.76 1.05 1.6220 4 0 0 57.03 1.80 1.6149 -4 1 1 57.32 2.11 1.6073 0 4 3 57.72 1.13 1.5972 1 3 5 57.90 11.36 1.5927 -1 3 6 58.42 1.14 1.5796 3 3 0 58.55 1.70 1.5766 3 1 4 58.69 1.36 1.5731 -4 1 4 59.08 1.43 1.5637 -3 1 7 59.13 1.80 1.5624 0 1 8 59.15 5.27 1.5619 -3 2 6 60.53 2.90 1.5296 2 4 0 60.59 1.19 1.5281 -2 4 2 60.61 2.43 1.5277 1 4 3 61.55 1.54 1.5067 -4 2 2 61.95 3.53 1.4979 1 2 7 61.96 1.60 1.4978 -4 2 1 62.08 1.82 1.4950 -4 2 3 62.19 1.04 1.4928 -1 2 8 62.39 1.31 1.4884 4 0 2 62.89 4.19 1.4778 -4 0 6 63.02 3.53 1.4750 1 0 8 63.07 4.19 1.4739 3 3 2 63.18 3.78 1.4717 -3 0 8 63.29 3.73 1.4693 4 2 0 63.41 1.93 1.4669 1 3 6 63.61 8.39 1.4628 2 2 6 63.96 8.45 1.4556 0 2 8 63.98 7.14 1.4553 4 1 2 64.04 6.54 1.4540 -2 2 8 64.16 1.25 1.4516 3 1 5 64.46 4.83 1.4454 -4 1 6 64.47 3.60 1.4454 -1 4 5 66.69 1.39 1.4026 3 3 3 67.03 1.71 1.3962 0 1 9 67.09 5.49 1.3951 -3 3 6 67.99 1.73 1.3787 4 1 3 68.59 1.23 1.3683 -4 1 7 68.62 4.24 1.3676 -3 4 1 68.67 3.31 1.3668 -3 4 2 68.79 1.25 1.3647 3 2 5 68.89 6.76 1.3630 3 0 6 68.99 1.72 1.3613 -1 4 6 69.36 1.04 1.3548 -3 2 8 69.46 1.89 1.3531 -1 2 9 69.47 2.12 1.3531 3 4 0 69.60 2.13 1.3508 -3 4 3 69.82 2.04 1.3470 0 4 6 70.15 3.73 1.3415 -1 5 2 70.98 5.49 1.3279 4 3 0 71.08 7.65 1.3263 3 3 4 71.21 7.59 1.3242 -4 3 4 71.48 2.16 1.3199 0 5 3 71.68 1.38 1.3166 -2 3 8 71.85 3.85 1.3140 1 5 2 71.98 1.38 1.3119 -4 0 8 72.59 1.17 1.3023 1 1 9 72.72 1.44 1.3004 -5 1 1 72.77 2.66 1.2996 4 1 4 72.90 1.63 1.2976 5 0 0 72.94 2.30 1.2970 -5 1 4 73.08 1.01 1.2948 -4 2 7 73.24 2.25 1.2924 2 1 8 73.75 2.36 1.2846 -2 1 10 74.04 1.38 1.2804 -3 4 5 74.05 1.20 1.2802 1 4 6 74.37 2.28 1.2755 5 1 0 74.51 2.17 1.2735 0 5 4 74.53 2.18 1.2732 -1 5 4 74.73 1.80 1.2703 -5 1 5 75.34 3.45 1.2615 0 1 10 75.46 2.93 1.2597 0 4 7 75.49 1.46 1.2594 -3 2 9 75.61 1.17 1.2577 2 5 1 75.72 1.78 1.2561 -2 5 3 76.04 1.18 1.2516 4 3 2 76.34 4.85 1.2475 -5 2 2 76.50 2.53 1.2453 -4 3 6 76.52 1.93 1.2449 -3 0 10 76.62 3.09 1.2436 1 3 8 77.12 1.21 1.2368 3 4 3 77.16 1.83 1.2362 4 2 4 77.33 1.38 1.2340 -5 2 4 77.36 3.40 1.2335 -5 1 6 77.62 1.58 1.2300 2 2 8 77.84 2.15 1.2271 -4 2 8 77.95 1.31 1.2257 -1 5 5 78.13 1.52 1.2233 -2 2 10 79.63 1.19 1.2040 -4 4 2 80.17 1.10 1.1972 5 1 2 81.19 1.07 1.1847 5 2 1 81.19 1.26 1.1847 4 4 0 81.48 2.31 1.1813 2 4 6 81.57 1.16 1.1801 3 2 7 81.68 1.28 1.1789 -5 2 6 81.80 2.04 1.1775 0 4 8 81.83 1.10 1.1770 -2 1 11 81.87 1.75 1.1766 -2 4 8 82.01 1.62 1.1749 1 5 5 82.62 1.75 1.1679 3 5 0 82.95 1.80 1.1640 0 5 6 83.23 1.08 1.1609 4 4 1 83.62 2.20 1.1563 0 6 0 84.04 1.66 1.1517 0 6 1 84.36 2.89 1.1481 2 5 4 84.43 4.44 1.1474 -1 3 10 84.45 2.97 1.1472 -3 5 4 84.64 2.10 1.1451 -2 5 6 86.69 1.21 1.1232 3 5 2 87.69 2.08 1.1129 2 4 7 87.77 1.56 1.1121 5 0 4 88.13 2.45 1.1085 -2 4 9 88.75 3.65 1.1023 4 2 6 89.29 1.67 1.0970 -5 2 8 89.38 2.05 1.0962 -3 3 10 89.63 2.81 1.0938 -4 2 10 89.72 2.21 1.0929 -2 6 1 89.96 1.60 1.0906 3 5 3 89.97 1.51 1.0905 2 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.