Wyartite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090061 Hawthorne F C, Finch R J, Ewing R C The Canadian Mineralogist 44 (2006) 1379-1385 The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] (H2O)3 Locality: Shinkolobwe mine, Shaba, Democratic Republic of Congo AMCSD#0006089 CELL PARAMETERS: 11.2360 7.1360 17.0630 90.000 90.000 90.000 SPACE GROUP: Pmcn ATOM X Y Z OCCUPANCY ISO(B) Ca 0.25000 0.28810 0.44430 0.700 2.708 Ca 0.25000 0.39410 0.45370 0.300 1.500 U -0.06061 0.88930 0.26385 1.000 0.892 U 0.25000 0.89101 0.20930 1.000 0.884 C 0.25000 0.62110 0.53370 0.700 3.158 O 0.11660 0.37120 0.33670 1.000 1.895 O -0.00550 0.90670 0.36470 1.000 1.911 O 0.10870 0.70680 0.23260 1.000 1.682 O 0.10320 0.06980 0.22120 1.000 1.303 O -0.25000 0.88740 0.31580 1.000 1.500 Wa 0.25000 0.93140 0.35550 1.000 3.316 O 0.25000 0.62600 0.45880 0.700 5.685 OH 0.25000 0.62600 0.45880 0.300 5.685 O 0.25000 0.46800 0.57230 0.700 7.659 OH 0.25000 0.46800 0.57230 0.300 7.659 O 0.25000 0.74500 0.58520 0.700 6.553 O 0.25000 0.07400 0.51100 0.300 6.553 Wa 0.05300 0.22200 0.48480 0.330 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 6 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 285.5892931 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.37 100.00 8.5315 0 0 2 13.03 3.53 6.7947 1 0 2 18.91 4.35 4.6921 2 0 2 20.79 2.09 4.2735 2 1 1 20.82 14.83 4.2657 0 0 4 22.29 6.69 3.9880 1 0 4 22.68 2.75 3.9205 2 1 2 25.50 28.71 3.4925 0 2 1 25.54 2.68 3.4872 2 1 3 26.23 1.82 3.3974 2 0 4 26.88 8.48 3.3163 3 1 0 27.09 1.05 3.2917 0 2 2 27.40 22.79 3.2554 3 1 1 28.88 11.95 3.0910 3 1 2 29.11 1.79 3.0675 2 1 4 29.55 10.61 3.0225 0 2 3 30.63 1.88 2.9187 1 2 3 31.22 11.45 2.8649 3 1 3 31.46 2.53 2.8438 0 0 6 31.86 1.61 2.8090 4 0 0 32.48 3.42 2.7569 1 0 6 33.18 3.50 2.6999 2 1 5 33.67 1.16 2.6617 2 2 3 34.25 4.58 2.6182 3 1 4 35.38 1.66 2.5373 2 0 6 36.43 3.25 2.4662 0 2 5 37.33 3.46 2.4088 1 2 5 37.62 2.63 2.3907 2 1 6 37.83 3.27 2.3783 3 1 5 39.92 1.33 2.2582 2 2 5 41.24 2.80 2.1889 4 2 1 41.85 1.07 2.1588 3 1 6 42.36 3.04 2.1338 2 1 7 43.17 2.27 2.0955 1 0 8 45.16 4.69 2.0079 3 3 0 45.48 2.49 1.9942 3 3 1 45.49 2.28 1.9940 2 0 8 45.63 1.72 1.9882 5 0 4 45.80 2.13 1.9812 1 2 7 46.22 1.23 1.9641 3 1 7 46.46 7.42 1.9545 3 3 2 46.61 1.71 1.9485 2 3 4 47.33 1.48 1.9204 2 1 8 48.02 2.44 1.8948 2 2 7 48.05 2.04 1.8934 3 3 3 48.62 2.01 1.8727 6 0 0 49.85 2.11 1.8291 6 0 2 50.22 3.53 1.8167 3 3 4 50.27 1.32 1.8151 5 1 5 50.62 1.35 1.8034 5 2 3 51.21 1.88 1.7840 0 4 0 51.86 1.34 1.7632 5 0 6 52.40 2.96 1.7462 0 4 2 52.53 1.35 1.7420 2 1 9 52.75 1.64 1.7353 2 3 6 53.43 1.44 1.7147 6 0 4 55.31 2.29 1.6610 5 2 5 55.49 1.11 1.6559 1 2 9 55.69 3.17 1.6504 6 2 1 55.86 1.39 1.6459 0 4 4 56.07 1.37 1.6403 3 3 6 57.23 1.01 1.6096 5 1 7 57.43 1.72 1.6045 2 2 9 57.93 1.96 1.5919 6 2 3 59.25 1.16 1.5595 7 1 1 59.78 1.23 1.5470 5 0 8 60.60 1.27 1.5281 2 3 8 61.89 1.81 1.4993 5 2 7 67.98 1.03 1.3790 2 2 11 70.09 1.34 1.3426 5 2 9 70.87 1.94 1.3296 3 5 1 72.84 1.29 1.2984 3 5 3 74.26 1.07 1.2771 6 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.