Schoepite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100188 Finch R J, Cooper M A, Hawthorne F C, Ewing R C The Canadian Mineralogist 34 (1996) 1071-1088 The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12 _database_code_amcsd 0005517 CELL PARAMETERS: 14.2350 16.7910 14.7170 90.000 90.000 90.000 SPACE GROUP: P2_1ca ATOM X Y Z OCCUPANCY ISO(B) U 0.25910 0.51320 0.75830 1.000 0.876 U 0.02760 0.37750 0.76280 1.000 1.074 U 0.27920 0.74510 0.74740 1.000 0.971 U -0.00080 0.61270 0.74970 1.000 0.963 U 0.27970 0.01340 0.74060 1.000 0.790 U 0.01170 0.87720 0.76310 1.000 0.561 U 0.26070 0.24500 0.75200 1.000 0.663 U 0.03980 0.11320 0.75000 1.000 0.663 O 0.27860 0.50160 0.64020 1.000 1.184 O 0.24730 0.52180 0.87910 1.000 0.608 O 0.02290 0.34090 0.64900 1.000 1.263 O 0.03020 0.41560 0.87240 1.000 0.861 O 0.23440 0.73810 0.63670 1.000 1.698 O 0.32620 0.76180 0.85930 1.000 0.892 O 0.01620 0.64870 0.63830 1.000 3.387 O -0.00410 0.58150 0.86890 1.000 0.782 O 0.30630 0.02210 0.62480 1.000 1.563 O 0.25750 -0.00920 0.85590 1.000 1.863 O 0.01240 0.90670 0.88030 1.000 1.121 O 0.00570 0.84460 0.64840 1.000 1.192 O 0.22490 0.25330 0.63640 1.000 2.021 O 0.29800 0.23520 0.86850 1.000 1.437 O 0.04310 0.08000 0.86160 1.000 1.603 O 0.03450 0.14250 0.63320 1.000 0.497 O -0.15300 0.62650 0.74080 1.000 0.813 O 0.19850 0.12050 0.76190 1.000 0.813 OH 0.34120 0.88030 0.70360 1.000 0.742 OH 0.41800 0.48140 0.78850 1.000 0.876 OH 0.16120 0.64570 0.78020 1.000 0.971 OH 0.15780 0.82700 0.79480 1.000 1.113 OH -0.03720 0.74290 0.79850 1.000 0.663 OH 0.10260 0.50200 0.70410 1.000 0.687 OH 0.20830 0.37510 0.78450 1.000 0.742 OH 0.12220 -0.02090 0.70530 1.000 0.876 OH 0.38350 0.15010 0.70990 1.000 0.971 OH 0.38810 0.32130 0.69800 1.000 1.113 OH 0.09070 0.24900 0.80530 1.000 0.663 OH 0.44220 -0.00100 0.78110 1.000 0.687 Wa 0.32210 -0.12260 0.52270 1.000 2.298 Wa 0.40910 0.51970 0.47900 1.000 1.492 Wa 0.17030 0.34990 0.47610 1.000 1.334 Wa 0.18740 0.13240 0.48370 1.000 2.179 Wa 0.48220 0.74690 0.51390 1.000 3.316 Wa 0.10380 0.50380 0.53410 1.000 1.650 Wa 0.24340 0.61840 0.48110 1.000 2.606 Wa 0.14510 -0.04230 0.52250 1.000 3.956 Wa 0.38710 0.16000 0.52950 1.000 3.600 Wa 0.35950 0.35280 0.51450 1.000 2.598 Wa 0.08950 0.76120 0.48620 1.000 3.893 Wa 0.43070 0.00660 0.46640 1.000 1.532 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 15 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 229.2431680 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.03 100.00 7.3585 0 0 2 14.80 2.10 5.9864 2 1 1 24.19 21.99 3.6793 0 0 4 24.62 35.43 3.6157 2 4 0 25.02 16.86 3.5587 4 0 0 27.49 58.04 3.2451 2 4 2 27.85 26.14 3.2038 4 0 2 30.38 1.57 2.9425 4 3 1 34.79 18.17 2.5789 2 4 4 35.08 8.68 2.5580 4 0 4 36.64 4.77 2.4528 0 0 6 38.82 2.28 2.3198 6 1 1 41.51 1.20 2.1756 4 6 1 42.67 1.12 2.1188 6 1 3 43.10 5.15 2.0989 0 8 0 43.83 9.36 2.0654 6 4 0 44.64 13.21 2.0298 2 4 6 44.88 6.17 2.0196 4 0 6 44.91 5.98 2.0184 0 8 2 45.62 11.28 1.9886 6 4 2 49.55 3.08 1.8396 0 0 8 50.03 4.90 1.8231 0 8 4 50.48 3.94 1.8079 4 8 0 50.69 8.31 1.8011 6 4 4 51.35 1.74 1.7794 8 0 0 52.09 6.92 1.7557 4 8 2 52.94 2.90 1.7295 8 0 2 54.47 1.51 1.6846 8 3 1 54.78 1.14 1.6758 6 7 1 56.09 6.81 1.6396 2 4 8 56.29 3.48 1.6342 4 0 8 56.73 4.70 1.6226 4 8 4 57.50 1.12 1.6027 8 3 3 57.54 1.88 1.6019 8 0 4 57.82 2.29 1.5947 0 8 6 58.41 4.19 1.5799 6 4 6 63.98 3.19 1.4553 4 8 6 64.72 1.35 1.4403 8 0 6 67.73 1.59 1.3834 0 8 8 68.28 2.82 1.3737 6 4 8 68.88 3.32 1.3631 2 4 10 69.06 1.61 1.3600 4 0 10 69.67 2.23 1.3497 2 12 2 70.56 1.84 1.3347 8 8 2 71.09 1.74 1.3260 10 4 2 73.44 2.07 1.2894 4 8 8 73.64 1.64 1.2863 2 12 4 74.52 1.40 1.2734 8 8 4 75.04 1.25 1.2658 10 4 4 80.06 1.42 1.1986 6 4 10 80.10 1.38 1.1981 2 12 6 80.81 1.23 1.1894 6 12 2 80.96 1.20 1.1876 8 8 6 81.47 1.03 1.1814 10 4 6 83.18 1.40 1.1614 2 4 12 84.61 1.16 1.1454 6 12 4 84.98 1.23 1.1413 4 8 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.