Guilleminite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090007 Cooper M A, Hawthorne F C The Canadian Mineralogist 33 (1995) 1103-1109 The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure CELL PARAMETERS: 7.0840 7.2960 16.8870 90.000 90.000 90.000 SPACE GROUP: P2_1nm ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.07650 0.00000 1.000 1.663 U 0.82080 0.39120 0.50000 1.000 0.850 U 0.32220 0.39420 0.39170 1.000 0.795 Se 0.83020 0.37130 0.29590 1.000 1.211 O 0.84000 0.14600 0.50000 1.000 1.350 O 0.50400 0.32500 0.50000 1.000 0.892 O 0.14000 0.40300 0.50000 1.000 0.497 O 0.29800 0.36300 0.00000 1.000 2.282 O 0.35700 0.63600 0.39700 1.000 1.271 O 0.30300 0.14700 0.38500 1.000 1.777 O 0.99400 0.43300 0.36500 1.000 2.061 O 0.29200 0.42800 0.25000 1.000 1.334 O 0.65500 0.36400 0.36200 1.000 1.863 Wa 0.61700 0.11900 0.00000 1.000 1.682 Wa 0.15400 0.09900 0.15800 1.000 4.651 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 99.40059985 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.48 51.86 8.4435 0 0 2 12.13 100.00 7.2960 0 1 0 13.22 60.51 6.6976 0 1 1 13.55 15.97 6.5325 1 0 1 17.45 1.20 5.0824 1 1 0 18.23 5.70 4.8668 1 1 1 19.92 3.63 4.4567 0 1 3 20.15 11.61 4.4071 1 0 3 23.58 21.60 3.7723 1 1 3 24.36 5.10 3.6541 0 1 4 24.40 3.65 3.6480 0 2 0 24.97 60.40 3.5657 0 2 1 25.14 33.36 3.5420 2 0 0 26.62 1.06 3.3488 0 2 2 27.30 1.66 3.2663 2 0 2 27.46 33.94 3.2475 1 1 4 27.50 1.23 3.2432 1 2 0 28.00 43.66 3.1864 2 1 0 28.51 27.81 3.1311 2 1 1 29.30 50.97 3.0486 1 0 5 29.50 1.40 3.0276 1 2 2 29.97 6.83 2.9811 2 1 2 31.79 1.16 2.8145 0 0 6 31.81 52.50 2.8129 1 1 5 33.01 2.43 2.7135 2 0 4 34.15 1.46 2.6259 0 1 6 34.88 20.33 2.5719 1 2 4 35.29 1.65 2.5433 2 1 4 35.73 13.85 2.5129 2 2 1 36.49 9.93 2.4622 1 1 6 36.96 3.51 2.4320 0 3 0 37.36 6.80 2.4072 0 3 1 38.88 2.19 2.3161 2 2 3 39.16 1.16 2.3002 1 3 0 40.40 1.15 2.2325 0 3 3 40.51 2.18 2.2270 3 1 1 40.65 1.30 2.2193 1 3 2 40.96 1.18 2.2035 2 0 6 41.43 1.52 2.1794 1 1 7 41.47 10.75 2.1775 3 0 3 42.53 10.34 2.1257 1 2 6 42.84 7.04 2.1109 0 0 8 43.37 1.35 2.0866 3 1 3 44.69 1.99 2.0277 0 1 8 44.87 17.84 2.0199 1 3 4 45.05 1.90 2.0122 0 2 7 45.23 3.15 2.0049 2 3 0 45.56 16.49 1.9909 2 3 1 45.75 7.07 1.9833 3 1 4 45.99 1.24 1.9736 0 3 5 46.95 21.72 1.9352 3 0 5 47.09 1.06 1.9298 3 2 2 47.84 5.31 1.9012 1 3 5 48.68 10.41 1.8706 3 1 5 48.70 1.08 1.8697 3 2 3 50.00 7.45 1.8240 0 4 0 50.20 3.18 1.8172 0 1 9 50.31 1.02 1.8138 1 0 9 50.32 2.63 1.8135 0 4 1 50.32 2.34 1.8133 2 0 8 50.89 19.19 1.7943 3 2 4 51.30 8.47 1.7811 1 3 6 51.61 5.20 1.7710 4 0 0 51.67 1.63 1.7692 1 2 8 51.96 4.91 1.7598 2 1 8 52.09 2.37 1.7558 3 1 6 53.22 5.75 1.7210 4 1 0 53.52 4.05 1.7122 4 1 1 53.61 1.01 1.7096 3 2 5 54.33 5.07 1.6887 0 0 10 54.44 1.76 1.6854 1 4 3 55.04 7.22 1.6686 0 2 9 55.88 2.41 1.6452 0 1 10 56.47 1.21 1.6295 1 4 4 56.77 6.00 1.6216 2 4 0 56.81 6.76 1.6207 3 2 6 56.95 5.33 1.6168 2 1 9 58.16 5.41 1.5861 4 2 1 58.72 4.73 1.5723 3 3 4 59.01 11.22 1.5652 1 4 5 60.76 4.57 1.5243 2 0 10 61.21 2.92 1.5143 3 3 5 61.42 5.89 1.5095 2 2 9 62.22 6.45 1.4921 2 1 10 62.52 2.47 1.4856 0 3 9 63.78 1.70 1.4592 0 5 0 64.16 1.99 1.4515 3 3 6 65.42 4.39 1.4265 4 3 1 66.03 1.29 1.4150 0 2 11 66.92 2.17 1.3983 3 4 3 67.63 1.96 1.3852 1 5 3 67.92 1.58 1.3801 0 4 8 68.49 6.09 1.3700 2 3 9 68.72 1.90 1.3659 3 4 4 69.25 1.27 1.3567 4 0 8 69.63 1.26 1.3502 5 1 3 69.69 3.86 1.3492 2 5 0 70.61 1.42 1.3339 4 1 8 71.01 7.50 1.3273 3 4 5 71.41 2.27 1.3210 5 1 4 71.71 6.19 1.3162 1 5 5 72.32 2.58 1.3065 5 0 5 73.29 1.30 1.2916 2 3 10 73.66 4.26 1.2860 5 1 5 73.67 1.30 1.2860 2 4 8 74.22 1.31 1.2777 1 0 13 74.71 2.67 1.2706 4 4 0 74.87 2.04 1.2683 4 1 9 75.41 2.27 1.2605 5 2 4 75.55 1.80 1.2585 1 1 13 76.38 1.13 1.2469 5 1 6 76.94 2.43 1.2392 0 4 10 78.22 2.34 1.2222 4 0 10 78.47 1.49 1.2189 2 3 11 78.81 3.51 1.2145 4 2 9 79.52 2.67 1.2054 4 1 10 80.30 1.19 1.1956 5 2 6 81.53 1.82 1.1807 6 0 0 81.94 3.19 1.1758 5 3 4 82.12 1.83 1.1736 1 1 14 82.46 3.30 1.1697 2 4 10 82.82 1.06 1.1655 6 1 0 82.85 2.99 1.1651 3 5 5 83.93 1.78 1.1529 1 6 4 84.42 1.33 1.1475 2 6 1 85.27 2.83 1.1382 4 3 9 85.27 1.45 1.1382 3 0 13 85.40 1.72 1.1368 2 5 8 85.98 2.84 1.1306 1 2 14 86.40 1.83 1.1262 4 5 0 86.74 1.86 1.1226 5 3 6 86.91 2.89 1.1208 6 2 1 87.79 1.29 1.1118 1 0 15 88.57 1.03 1.1041 0 5 10 89.07 1.91 1.0992 1 1 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.