Marthozite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R090052 Cooper M A, Hawthorne F C The Canadian Mineralogist 39 (2001) 797-807 Structure topology and hydrogen bonding in mathozite, Cu[(UO2)3(SeO3)2O2](H2O)8, a comparison with guilleminite, Ba[(UO2)3(SeO3)2O2](H2O)3 AMCSD#0005682 CELL PARAMETERS: 7.0820 15.8430 17.0810 90.000 90.000 90.000 SPACE GROUP: Pbn2_1 ATOM X Y Z OCCUPANCY ISO(B) U 0.20563 0.27827 0.50000 1.000 1.082 U 0.20222 0.20848 0.10493 1.000 0.947 U 0.21002 0.23414 0.89322 1.000 1.098 Se 0.19200 0.28770 0.29890 1.000 1.263 Se 0.19170 0.32390 0.69660 1.000 1.176 Cu 0.19760 0.46220 0.11770 1.000 1.824 O 0.23250 0.20380 0.24410 1.000 1.366 O 0.04970 0.24660 0.37180 1.000 1.342 O 0.38610 0.29590 0.35600 1.000 2.321 O 0.24780 0.24340 0.75610 1.000 1.555 O 0.04580 0.28000 0.63070 1.000 1.232 O 0.37480 0.32440 0.63320 1.000 1.492 O 0.16700 0.38560 0.48880 1.000 1.184 O 0.25100 0.17090 0.51190 1.000 1.492 O 0.24930 0.09980 0.09940 1.000 1.319 O 0.15300 0.31480 0.12110 1.000 0.908 O 0.26130 0.12870 0.88470 1.000 1.548 O 0.16490 0.33960 0.89490 1.000 2.132 O 0.38240 0.24600 0.00300 1.000 0.916 O 0.51550 0.29480 0.49660 1.000 0.987 Wa -0.00160 0.46610 0.03030 1.000 1.784 Wa 0.37210 0.45010 0.20620 1.000 2.424 Wa -0.00510 0.49340 0.19010 1.000 1.974 Wa 0.39930 0.42420 0.04560 1.000 2.937 Wa 0.70450 0.39100 0.16790 1.000 2.700 Wa 0.02870 0.50910 0.34660 1.000 3.719 Wa 0.50510 0.42430 0.78890 1.000 3.040 Wa 0.48410 0.48670 0.42760 1.000 3.253 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 14 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 138.7273309 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.36 14.42 8.5405 0 0 2 11.17 100.00 7.9215 0 2 0 12.32 14.23 7.1863 0 2 1 13.54 5.62 6.5420 1 0 1 15.26 12.04 5.8079 0 2 2 17.58 1.09 5.0442 1 2 1 20.01 10.98 4.4374 1 0 3 20.80 2.19 4.2702 0 0 4 22.45 16.38 3.9608 0 4 0 22.97 9.42 3.8714 1 2 3 23.05 21.64 3.8584 0 4 1 24.78 3.73 3.5932 0 4 2 25.15 15.97 3.5410 2 0 0 25.78 12.75 3.4557 2 1 0 26.30 1.52 3.3882 1 4 1 26.85 4.68 3.3202 1 2 4 27.26 1.83 3.2710 2 0 2 27.43 2.56 3.2514 0 4 3 27.59 22.55 3.2327 2 2 0 27.84 1.84 3.2043 1 4 2 28.09 3.21 3.1763 2 2 1 29.02 35.23 3.0769 1 0 5 29.55 2.97 3.0234 2 2 2 29.57 5.42 3.0205 1 1 5 29.72 1.25 3.0065 1 3 4 30.25 5.94 2.9549 1 4 3 30.39 4.34 2.9411 2 3 0 30.85 2.36 2.8984 2 3 1 31.18 31.32 2.8682 1 2 5 33.35 8.27 2.6868 1 4 4 33.96 3.07 2.6398 2 4 0 34.37 5.33 2.6095 0 6 1 34.38 5.69 2.6089 2 4 1 35.59 2.08 2.5227 0 6 2 35.60 1.41 2.5221 2 4 2 35.84 2.16 2.5058 1 2 6 37.00 8.57 2.4299 1 4 5 38.49 1.72 2.3390 2 5 1 39.72 2.31 2.2691 1 6 3 40.74 1.13 2.2150 1 2 7 41.07 5.14 2.1976 1 4 6 41.41 1.72 2.1807 3 0 3 41.81 2.42 2.1603 3 1 3 42.21 4.53 2.1408 1 6 4 42.33 2.03 2.1351 0 0 8 43.02 1.89 2.1025 3 2 3 43.06 3.86 2.1007 2 6 1 43.92 3.11 2.0616 0 2 8 44.08 1.50 2.0546 2 6 2 44.97 1.36 2.0156 3 3 3 46.14 4.55 1.9672 0 8 1 46.78 4.63 1.9421 3 0 5 47.11 1.60 1.9292 0 8 2 47.15 10.59 1.9277 3 1 5 47.24 2.40 1.9240 3 3 4 47.60 1.35 1.9103 3 4 3 48.00 1.82 1.8952 2 7 1 48.25 4.43 1.8862 3 2 5 48.43 1.54 1.8794 0 4 8 48.76 3.88 1.8674 1 6 6 49.78 1.92 1.8318 3 4 4 49.87 1.67 1.8285 2 0 8 50.04 3.90 1.8227 3 3 5 50.46 1.26 1.8084 1 8 3 50.83 1.13 1.7964 3 5 3 51.28 1.06 1.7816 2 2 8 51.97 4.78 1.7595 4 1 0 52.48 1.94 1.7437 3 4 5 52.55 5.89 1.7414 1 8 4 52.69 1.28 1.7373 1 6 7 52.91 1.94 1.7306 3 5 4 53.27 3.27 1.7196 2 8 1 53.31 1.70 1.7183 3 3 6 53.54 1.70 1.7115 0 4 9 53.66 2.67 1.7081 0 0 10 54.14 1.01 1.6941 2 8 2 54.68 1.65 1.6787 4 3 0 54.96 1.53 1.6706 4 3 1 54.99 3.16 1.6697 0 2 10 55.34 1.43 1.6601 2 4 8 55.50 1.26 1.6558 3 5 5 56.56 1.11 1.6271 3 6 4 58.23 2.70 1.5845 1 8 6 58.51 1.54 1.5775 0 10 1 58.88 1.20 1.5685 0 4 10 60.03 1.16 1.5411 0 6 9 60.04 1.39 1.5410 2 4 9 60.11 1.64 1.5393 4 5 1 60.15 2.37 1.5385 2 0 10 60.46 1.96 1.5313 2 1 10 60.69 1.87 1.5259 3 7 4 61.39 2.88 1.5102 2 2 10 61.73 1.02 1.5027 1 8 7 64.05 2.02 1.4537 1 10 4 64.69 1.35 1.4410 2 10 1 65.04 1.23 1.4341 2 4 10 65.26 1.35 1.4296 3 8 4 65.92 1.17 1.4170 3 7 6 66.13 1.11 1.4131 2 6 9 67.38 1.44 1.3899 4 7 1 68.47 1.60 1.3702 0 8 9 69.14 1.30 1.3586 1 10 6 70.25 1.35 1.3399 3 9 4 72.49 3.24 1.3040 5 1 5 74.21 1.61 1.2779 2 8 9 74.75 1.56 1.2700 5 3 5 76.52 1.04 1.2450 4 9 1 77.96 2.18 1.2256 4 1 10 80.17 1.20 1.1973 4 3 10 81.83 1.35 1.1771 6 1 0 87.67 1.42 1.1131 1 2 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.