Curite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070328 Burns P C, Hill F C The Canadian Mineralogist 38 (2000) 175-181 Implications of the synthesis and structure of the Sr analogue of curite CELL PARAMETERS: 12.5810 13.0360 8.3970 90.000 90.000 90.000 SPACE GROUP: Pnam ATOM X Y Z OCCUPANCY ISO(B) U 0.21316 0.08052 0.25000 1.000 0.805 U 0.19875 0.06928 0.75000 1.000 0.671 U 0.30511 0.28911 -0.01208 1.000 0.671 Sr 0.05440 0.33630 0.25000 1.000 1.198 Sr 0.01610 0.36490 0.75000 1.000 1.090 O 0.23180 0.12660 0.00400 1.000 1.184 O 0.17000 0.34450 -0.03200 1.000 1.342 Wa 0.00000 0.50000 0.00000 1.000 2.053 O 0.05900 0.73510 -0.01600 1.000 1.342 O 0.07000 0.12200 0.25000 1.000 1.263 O 0.25900 0.25400 0.25000 1.000 1.105 O 0.35500 0.03900 0.25000 1.000 1.579 O 0.17300 0.49700 0.25000 1.000 2.606 O 0.19600 0.71300 0.25000 1.000 1.579 OH 0.15000 0.91100 0.25000 1.000 1.342 O 0.42900 0.63800 0.25000 1.000 1.026 OH 0.37800 0.44180 0.07900 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 121.2656342 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.77 2.42 9.0527 1 1 0 13.59 9.69 6.5180 0 2 0 14.08 100.00 6.2905 2 0 0 15.31 6.67 5.7874 1 2 0 15.64 6.59 5.6654 2 1 0 21.16 2.79 4.1985 0 0 2 22.27 43.26 3.9922 3 1 0 22.31 2.67 3.9843 2 2 1 24.90 30.96 3.5753 2 3 0 25.23 54.14 3.5296 0 2 2 25.25 8.32 3.5268 3 2 0 25.51 1.12 3.4921 2 0 2 26.22 70.57 3.3984 1 2 2 26.42 48.44 3.3732 2 1 2 27.11 1.54 3.2895 2 3 1 27.43 1.43 3.2516 3 2 1 28.29 61.86 3.1549 1 4 0 28.38 7.05 3.1453 4 0 0 29.01 62.63 3.0782 2 2 2 29.21 10.68 3.0575 4 1 0 29.60 7.39 3.0176 3 3 0 30.45 9.83 2.9360 1 3 2 30.90 2.07 2.8937 2 4 0 30.91 8.66 2.8931 3 1 2 31.50 1.19 2.8398 3 3 1 33.17 20.37 2.7004 3 2 2 34.85 15.73 2.5744 0 4 2 34.87 11.65 2.5733 3 4 0 35.22 26.03 2.5479 4 3 0 35.67 1.64 2.5172 4 0 2 35.78 1.66 2.5094 2 1 3 36.35 16.96 2.4716 4 1 2 36.36 7.98 2.4706 5 1 0 36.68 2.25 2.4503 3 3 2 38.33 1.27 2.3482 4 2 2 41.39 3.59 2.1813 1 5 2 41.47 1.39 2.1775 5 3 0 41.57 2.28 2.1727 0 6 0 42.21 3.18 2.1410 1 6 0 42.45 4.05 2.1293 5 1 2 43.09 25.76 2.0993 0 0 4 43.14 1.47 2.0968 6 0 0 43.31 3.23 2.0892 2 5 2 44.10 7.41 2.0536 2 6 0 45.11 2.00 2.0100 6 1 1 45.17 1.61 2.0072 4 5 0 45.53 1.96 1.9922 4 4 2 45.55 9.85 1.9913 2 0 4 45.99 1.34 1.9734 1 2 4 46.36 23.00 1.9585 3 5 2 47.01 10.67 1.9330 5 3 2 47.10 2.08 1.9296 0 6 2 47.68 17.52 1.9073 1 6 2 48.03 1.60 1.8944 3 4 3 48.19 17.08 1.8885 6 3 0 48.25 1.98 1.8862 1 5 3 49.03 9.16 1.8580 3 1 4 49.06 20.70 1.8568 6 1 2 49.40 8.77 1.8448 2 6 2 49.48 3.74 1.8422 1 7 0 50.39 12.37 1.8109 4 5 2 50.41 9.68 1.8103 2 3 4 50.60 2.01 1.8039 3 2 4 50.64 2.38 1.8027 6 2 2 50.73 2.07 1.7995 5 4 2 51.32 4.55 1.7804 7 1 0 52.18 4.08 1.7529 3 6 2 52.35 22.29 1.7477 1 4 4 52.38 1.19 1.7466 2 7 1 52.40 2.99 1.7461 4 0 4 52.91 3.70 1.7306 4 1 4 53.15 2.95 1.7233 3 3 4 53.87 6.85 1.7020 3 7 0 55.25 13.73 1.6625 5 5 2 56.11 2.48 1.6391 7 1 2 56.47 1.24 1.6295 0 8 0 56.58 4.63 1.6266 3 4 4 56.83 12.31 1.6202 4 3 4 57.07 1.01 1.6138 5 6 1 57.55 1.18 1.6016 7 2 2 57.62 4.91 1.5997 5 1 4 58.51 3.03 1.5774 2 8 0 58.66 3.42 1.5738 7 4 0 58.71 3.15 1.5726 8 0 0 59.89 1.70 1.5444 7 3 2 60.57 1.09 1.5288 8 2 0 60.83 2.65 1.5227 6 5 2 61.41 1.30 1.5097 0 6 4 61.48 8.76 1.5081 1 8 2 61.90 1.50 1.4989 1 6 4 62.00 9.46 1.4969 5 7 0 62.84 2.14 1.4788 8 3 0 63.36 4.78 1.4680 2 6 4 63.58 1.20 1.4634 8 1 2 64.20 1.11 1.4508 4 5 4 64.91 5.68 1.4365 8 2 2 65.33 2.20 1.4283 3 8 2 66.61 10.60 1.4040 6 3 4 67.06 6.42 1.3956 7 5 2 67.66 2.32 1.3846 1 7 4 68.58 2.85 1.3683 0 2 6 69.05 3.60 1.3603 1 2 6 69.14 2.54 1.3587 2 1 6 69.19 3.60 1.3578 7 1 4 70.12 1.37 1.3420 8 4 2 70.37 1.58 1.3379 2 9 2 70.42 4.14 1.3370 2 2 6 70.87 1.00 1.3296 8 5 1 71.34 4.96 1.3221 3 7 4 71.77 2.63 1.3152 7 6 2 72.64 3.77 1.3016 3 9 2 72.69 2.11 1.3008 3 2 6 72.76 4.33 1.2997 9 2 2 72.96 2.37 1.2967 1 10 0 73.18 2.11 1.2932 7 7 0 73.67 1.47 1.2859 0 4 6 73.75 2.89 1.2847 9 4 0 73.91 1.55 1.2823 8 5 2 74.58 2.18 1.2725 4 1 6 75.37 2.66 1.2611 2 8 4 75.50 2.62 1.2592 7 4 4 75.54 2.89 1.2586 8 0 4 75.58 1.60 1.2581 10 0 0 75.77 5.35 1.2554 4 9 2 76.52 1.02 1.2450 0 10 2 76.53 1.32 1.2448 3 10 0 78.47 9.01 1.2188 5 7 4 79.24 2.07 1.2089 8 3 4 79.73 3.75 1.2027 5 9 2 81.16 3.34 1.1851 10 2 2 81.33 3.57 1.1830 3 5 6 81.81 1.59 1.1773 5 3 6 82.31 2.68 1.1714 1 6 6 82.90 1.15 1.1646 2 11 0 83.28 1.64 1.1602 7 8 2 83.35 3.73 1.1594 6 1 6 83.61 1.61 1.1565 2 6 6 84.37 2.32 1.1480 4 5 6 84.51 2.53 1.1465 6 9 2 85.84 1.98 1.1320 9 6 2 86.00 1.01 1.1303 10 4 2 88.08 1.98 1.1090 4 11 0 88.25 3.12 1.1073 5 5 6 88.66 2.92 1.1032 1 10 4 88.88 2.67 1.1011 7 7 4 89.42 3.21 1.0958 9 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.