Meta-uranocircite I Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R050575 Locock A J, Burns P C, Flynn T M The Canadian Mineralogist 43 (2005) 721-733 Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet CELL PARAMETERS: 7.0100 17.0000 7.0200 90.000 90.130 90.000 SPACE GROUP: P2_1 ATOM X Y Z OCCUPANCY ISO(B) U 0.53500 0.07110 0.54640 1.000 0.947 U 0.04120 0.16650 0.04040 1.000 0.869 Ba 0.39840 0.33990 0.18040 1.000 2.132 P 0.03620 0.11800 -0.45910 1.000 1.026 P 0.53480 0.12030 0.05180 1.000 1.026 O 0.53600 0.17250 0.53500 1.000 2.053 O 0.04400 0.06700 0.04200 1.000 1.579 O 0.48930 0.07680 0.87160 1.000 1.500 O 0.56900 0.06700 0.21860 1.000 1.026 O 0.21070 0.06760 -0.49110 1.000 1.263 O -0.28300 0.17140 0.02000 1.000 1.658 O -0.14060 0.07000 -0.42520 1.000 1.500 O 0.06600 0.17320 -0.28500 1.000 1.816 O 0.00620 0.17160 -0.63300 1.000 1.579 O 0.36740 0.17730 0.09690 1.000 1.026 O 0.53800 -0.02950 0.56160 1.000 1.263 O 0.04800 0.26940 0.04000 1.000 1.342 Wa 0.25600 0.30720 0.55400 1.000 3.158 Wa 0.69300 0.43290 0.05700 1.000 2.921 Wa 0.75200 0.31090 0.38800 1.000 2.606 Wa 0.24200 0.42260 -0.13800 1.000 3.316 Wa -0.05200 -0.08030 -0.26600 1.000 2.369 Wa 0.58000 0.30290 -0.17600 1.000 3.474 Wa 0.13900 -0.07700 -0.71000 1.000 3.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 15 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 48.74908320 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.41 100.00 8.5000 0 2 0 12.61 1.90 7.0200 0 0 1 12.63 5.91 7.0100 1 0 0 13.65 20.74 6.4885 0 1 1 13.66 10.17 6.4806 1 1 0 16.38 46.17 5.4127 0 2 1 16.39 33.29 5.4081 1 2 0 17.86 38.97 4.9660 -1 0 1 17.90 12.42 4.9547 1 0 1 18.61 5.29 4.7668 -1 1 1 18.65 14.99 4.7568 1 1 1 20.14 1.31 4.4094 0 3 1 20.72 27.92 4.2878 -1 2 1 20.75 46.75 4.2806 1 2 1 20.90 25.46 4.2500 0 4 0 23.82 2.63 3.7348 -1 3 1 23.86 3.22 3.7300 1 3 1 24.48 42.75 3.6356 0 4 1 24.49 65.81 3.6342 1 4 0 25.38 19.69 3.5100 0 0 2 25.41 31.27 3.5050 2 0 0 25.92 21.99 3.4375 0 1 2 25.96 14.46 3.4328 2 1 0 27.49 46.47 3.2443 0 2 2 27.53 34.73 3.2403 2 2 0 27.63 1.22 3.2289 -1 4 1 28.41 1.00 3.1414 -1 0 2 28.49 1.03 3.1330 2 0 1 28.98 2.46 3.0811 2 1 1 29.18 7.36 3.0600 0 5 1 29.19 4.24 3.0592 1 5 0 29.95 4.29 2.9839 0 3 2 29.98 8.31 2.9809 2 3 0 30.33 21.35 2.9466 -1 2 2 30.36 5.30 2.9444 -2 2 1 30.38 2.04 2.9419 1 2 2 30.41 16.20 2.9397 2 2 1 31.90 2.20 2.8055 -1 5 1 32.59 1.87 2.7475 -1 3 2 32.61 2.04 2.7457 -2 3 1 32.64 9.53 2.7436 1 3 2 32.66 5.58 2.7418 2 3 1 33.10 1.51 2.7063 0 4 2 33.13 5.47 2.7040 2 4 0 34.13 18.24 2.6274 0 6 1 34.13 8.62 2.6269 1 6 0 35.54 1.95 2.5262 -1 4 2 35.56 9.61 2.5248 -2 4 1 35.58 5.02 2.5232 1 4 2 36.18 4.74 2.4830 -2 0 2 36.26 4.00 2.4774 2 0 2 36.51 2.42 2.4610 -1 6 1 36.66 16.23 2.4515 2 1 2 36.80 1.05 2.4421 0 5 2 37.74 24.59 2.3834 -2 2 2 37.83 2.21 2.3784 2 2 2 38.91 3.59 2.3149 3 1 0 39.08 1.25 2.3051 1 5 2 39.10 4.14 2.3040 2 5 1 39.25 1.27 2.2951 0 7 1 39.71 4.08 2.2699 2 3 2 39.96 2.57 2.2561 0 2 3 40.02 4.75 2.2531 3 2 0 40.62 7.04 2.2211 -1 0 3 40.67 12.70 2.2186 -3 0 1 40.68 6.66 2.2181 1 0 3 40.98 5.67 2.2024 -1 1 3 41.03 2.64 2.1999 -3 1 1 41.04 9.31 2.1994 1 1 3 41.08 11.58 2.1970 3 1 1 41.76 7.17 2.1628 0 3 3 41.82 2.16 2.1602 3 3 0 42.05 5.28 2.1490 -1 2 3 42.15 6.91 2.1439 3 2 1 42.15 1.02 2.1439 -2 4 2 42.22 1.39 2.1403 2 4 2 42.54 7.62 2.1250 0 8 0 42.99 17.24 2.1040 -1 6 2 43.01 3.38 2.1032 -2 6 1 43.03 2.30 2.1023 1 6 2 43.04 12.16 2.1015 2 6 1 43.78 1.17 2.0679 -1 3 3 43.83 1.74 2.0655 1 3 3 43.88 2.34 2.0635 3 3 1 44.18 9.75 2.0498 0 4 3 44.23 5.98 2.0476 3 4 0 44.55 3.82 2.0339 0 8 1 44.55 9.51 2.0336 1 8 0 45.41 1.64 1.9971 0 7 2 46.11 1.02 1.9685 -1 4 3 46.16 1.54 1.9667 -3 4 1 46.16 1.09 1.9664 1 4 3 46.48 4.86 1.9536 -1 8 1 46.50 5.11 1.9530 1 8 1 47.05 2.12 1.9315 2 1 3 47.15 4.83 1.9276 0 5 3 47.20 6.80 1.9257 3 5 0 47.35 3.43 1.9200 1 7 2 47.36 3.40 1.9194 2 7 1 47.90 2.37 1.8989 -2 2 3 47.93 3.37 1.8980 -3 2 2 49.47 1.67 1.8423 -2 3 3 49.57 3.33 1.8389 2 3 3 49.60 4.76 1.8380 3 3 2 50.19 2.42 1.8178 0 8 2 50.21 1.67 1.8171 2 8 0 50.59 1.62 1.8042 0 6 3 50.64 5.36 1.8027 3 6 0 51.61 4.20 1.7710 -2 4 3 51.63 5.62 1.7702 -3 4 2 51.71 1.24 1.7679 2 4 3 51.73 1.03 1.7671 3 4 2 51.80 2.65 1.7650 1 9 1 51.97 4.05 1.7596 -2 8 1 51.98 1.13 1.7591 1 8 2 52.19 1.15 1.7525 4 0 0 52.34 1.46 1.7480 -1 6 3 52.41 6.72 1.7457 0 1 4 52.49 5.78 1.7433 4 1 0 52.79 1.14 1.7343 2 7 2 53.30 1.47 1.7187 0 2 4 53.38 3.14 1.7164 4 2 0 53.93 2.49 1.7000 0 10 0 54.36 6.82 1.6877 2 5 3 54.38 3.28 1.6870 3 5 2 54.45 3.26 1.6851 0 7 3 54.50 1.92 1.6838 3 7 0 54.76 3.24 1.6764 0 3 4 54.83 2.21 1.6743 4 3 0 55.24 2.30 1.6628 2 9 0 55.51 2.86 1.6553 -3 0 3 55.94 5.62 1.6438 3 1 3 56.11 1.60 1.6390 -1 7 3 56.16 1.12 1.6378 1 7 3 56.20 2.41 1.6368 3 7 1 56.47 1.32 1.6297 1 3 4 56.54 3.99 1.6278 4 3 1 56.65 4.35 1.6248 -3 2 3 57.05 1.20 1.6145 -2 8 2 57.28 6.19 1.6084 -1 10 1 57.30 5.16 1.6080 1 10 1 57.40 3.21 1.6053 -2 6 3 57.42 4.59 1.6047 -3 6 2 58.18 2.09 1.5856 3 3 3 58.36 1.69 1.5811 -1 4 4 58.43 3.23 1.5794 -4 4 1 58.69 2.60 1.5731 0 8 3 58.73 1.12 1.5721 3 8 0 58.79 3.24 1.5707 -2 0 4 58.84 3.07 1.5693 -4 0 2 59.06 1.36 1.5640 -2 1 4 59.12 1.38 1.5627 -4 1 2 59.18 5.90 1.5612 2 1 4 59.24 4.37 1.5599 4 1 2 59.94 3.13 1.5433 -4 2 2 60.28 2.09 1.5355 -1 8 3 60.31 3.63 1.5346 -3 8 1 60.32 1.46 1.5345 1 8 3 60.51 3.44 1.5300 0 10 2 60.53 3.43 1.5296 2 10 0 60.82 2.59 1.5229 -1 5 4 60.88 3.02 1.5216 1 5 4 60.89 1.44 1.5214 -4 5 1 60.95 1.81 1.5201 4 5 1 61.05 2.42 1.5177 2 7 3 61.08 2.69 1.5172 3 7 2 61.35 2.10 1.5111 2 3 4 61.41 1.28 1.5099 4 3 2 64.83 3.38 1.4381 1 9 3 64.87 2.18 1.4374 3 9 1 64.94 1.40 1.4360 -2 8 3 64.96 1.18 1.4356 -3 8 2 65.94 1.97 1.4167 0 12 0 66.06 1.46 1.4144 0 11 2 66.68 2.85 1.4027 -2 10 2 67.17 1.30 1.3935 1 7 4 67.24 2.17 1.3924 4 7 1 67.44 1.08 1.3887 0 12 1 67.62 1.72 1.3855 -4 2 3 68.33 1.77 1.3728 -1 1 5 68.40 1.59 1.3716 1 1 5 68.50 2.31 1.3698 5 1 1 68.90 1.75 1.3628 0 3 5 68.93 2.53 1.3623 -1 12 1 68.94 1.49 1.3621 1 12 1 69.01 1.12 1.3610 5 3 0 69.02 2.00 1.3607 3 3 4 69.65 3.10 1.3500 -1 10 3 69.68 2.16 1.3494 -3 10 1 69.72 1.78 1.3487 3 10 1 70.62 2.47 1.3338 -3 4 4 70.65 1.23 1.3333 -4 4 3 70.97 1.23 1.3281 -4 8 1 71.88 1.27 1.3134 2 12 0 72.02 2.00 1.3112 2 11 2 72.36 2.41 1.3059 -3 8 3 72.89 1.36 1.2977 0 5 5 72.99 1.37 1.2961 5 5 0 73.01 1.76 1.2959 3 5 4 73.04 2.17 1.2955 4 5 3 73.68 2.11 1.2857 0 9 4 73.75 1.61 1.2847 4 9 0 74.80 1.47 1.2692 2 3 5 74.85 1.53 1.2686 -1 11 3 74.89 1.68 1.2680 1 11 3 74.92 3.04 1.2675 3 11 1 75.57 3.03 1.2582 -4 6 3 76.64 3.86 1.2433 3 9 3 76.77 1.44 1.2415 -4 0 4 77.22 1.94 1.2354 4 1 4 77.74 1.17 1.2285 -4 2 4 78.73 1.40 1.2155 0 7 5 78.76 1.47 1.2150 5 5 2 78.83 1.10 1.2142 5 7 0 78.84 1.61 1.2140 3 7 4 79.44 1.37 1.2064 2 9 4 79.49 1.00 1.2058 4 9 2 80.07 1.10 1.1985 5 1 3 80.23 1.28 1.1965 1 14 0 80.40 1.55 1.1944 -1 12 3 80.43 1.94 1.1940 -3 12 1 80.60 1.32 1.1920 -5 2 3 81.09 2.70 1.1860 -3 10 3 82.27 1.06 1.1719 -3 8 4 82.67 2.29 1.1672 0 1 6 82.81 2.23 1.1656 6 1 0 83.91 1.08 1.1531 -4 10 2 84.40 1.12 1.1477 2 7 5 85.92 1.44 1.1312 -1 3 6 86.13 1.18 1.1290 6 3 1 86.18 1.52 1.1285 3 11 3 87.70 1.29 1.1129 -1 9 5 87.79 1.14 1.1119 -5 9 1 88.16 1.41 1.1082 -2 1 6 88.29 1.13 1.1069 -6 1 2 88.31 1.38 1.1067 2 1 6 88.44 1.29 1.1054 6 1 2 88.92 1.05 1.1006 2 11 4 89.69 1.04 1.0932 -1 5 6 89.83 1.16 1.0918 -6 5 1 89.91 1.15 1.0911 6 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.