Soddyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060361 Demartin F, Gramaccioli C M, Pilati T Acta Crystallographica C48 (1992) 1-4 The importance of accurate crystal structure determination of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O Locality: Democratic Republic of the Congo CELL PARAMETERS: 8.3200 11.1900 18.6500 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fddd ATOM X Y Z OCCUPANCY ISO(B) U 0.37500 0.37500 0.04413 1.000 0.814 Si 0.12500 0.12500 0.12500 1.000 0.860 O 0.55220 0.28620 0.04540 1.000 1.470 O 0.22430 0.20630 0.06770 1.000 1.270 Ow 0.37500 0.37500 0.17300 1.000 2.300 H 0.30000 0.39400 0.19300 1.000 4.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 10 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 132.0223917 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.09 96.89 6.2860 1 1 1 18.49 36.03 4.7977 0 2 2 19.03 10.18 4.6625 0 0 4 19.51 100.00 4.5498 1 1 3 23.42 15.26 3.7991 2 0 2 26.62 22.03 3.3483 1 3 1 26.70 73.73 3.3384 2 2 0 27.39 23.17 3.2563 1 1 5 29.93 25.19 2.9854 1 3 3 31.99 17.52 2.7975 0 4 0 32.96 40.59 2.7172 0 2 6 33.00 7.54 2.7143 2 2 4 33.64 4.97 2.6643 3 1 1 35.71 3.50 2.5142 1 3 5 36.07 24.34 2.4900 2 0 6 36.30 6.43 2.4745 1 1 7 36.37 13.25 2.4702 3 1 3 37.49 2.58 2.3988 0 4 4 38.62 7.28 2.3312 0 0 8 40.03 12.30 2.2527 2 4 2 40.83 6.55 2.2099 3 3 1 41.36 3.61 2.1828 3 1 5 42.09 2.58 2.1468 1 5 1 43.12 3.12 2.0980 1 3 7 43.17 15.87 2.0953 3 3 3 43.51 7.31 2.0800 4 0 0 44.38 11.92 2.0413 1 5 3 45.85 15.03 1.9791 1 1 9 47.57 8.03 1.9113 2 2 8 47.58 5.24 1.9112 3 3 5 47.65 6.83 1.9084 4 2 2 47.89 1.50 1.8996 4 0 4 48.05 3.39 1.8936 3 1 7 48.69 4.19 1.8700 1 5 5 48.97 26.94 1.8600 2 4 6 49.86 2.97 1.8288 0 6 2 50.99 2.24 1.7909 0 4 8 51.64 8.35 1.7700 1 3 9 52.79 2.84 1.7341 3 5 1 53.66 1.48 1.7080 3 3 7 53.87 10.34 1.7018 2 6 0 54.69 2.42 1.6784 1 5 7 54.73 6.52 1.6771 3 5 3 55.01 10.07 1.6692 4 4 0 55.65 16.55 1.6516 4 2 6 55.96 2.91 1.6433 1 1 11 56.00 4.73 1.6420 3 1 9 56.10 1.79 1.6395 5 1 1 57.64 6.68 1.5992 0 6 6 57.66 2.03 1.5986 2 6 4 57.96 6.44 1.5911 5 1 3 58.49 2.01 1.5781 3 5 5 58.75 1.63 1.5715 4 4 4 59.48 3.23 1.5542 0 0 12 59.57 1.30 1.5520 4 0 8 60.86 4.61 1.5221 1 7 3 61.06 2.59 1.5176 1 3 11 61.10 4.97 1.5166 3 3 9 61.19 1.13 1.5146 5 3 1 61.59 1.93 1.5058 5 1 5 62.05 3.46 1.4957 1 5 9 62.97 3.88 1.4762 5 3 3 63.85 1.38 1.4578 3 5 7 64.39 1.87 1.4469 1 7 5 65.01 1.59 1.4346 3 1 11 66.34 7.62 1.4090 2 2 12 66.43 1.58 1.4073 5 3 5 66.81 1.24 1.4003 5 1 7 66.89 2.05 1.3987 0 8 0 67.86 1.19 1.3812 3 7 1 68.23 2.53 1.3745 2 6 8 68.29 1.54 1.3734 4 6 2 68.40 1.36 1.3716 6 0 2 69.14 3.30 1.3586 0 4 12 69.23 2.70 1.3572 4 4 8 69.50 1.20 1.3525 1 7 7 69.54 3.00 1.3518 3 7 3 69.73 2.09 1.3487 3 3 11 69.89 4.10 1.3459 6 2 0 70.61 1.66 1.3340 1 5 11 70.65 3.66 1.3333 3 5 9 70.73 1.17 1.3319 5 5 1 71.93 1.71 1.3126 2 8 2 72.38 2.01 1.3056 5 5 3 72.85 1.05 1.2984 3 7 5 73.01 1.13 1.2959 0 2 14 73.48 2.55 1.2888 5 1 9 74.90 6.04 1.2678 4 6 6 75.00 3.87 1.2664 6 0 6 76.06 1.89 1.2513 1 7 9 76.52 2.67 1.2450 4 0 12 77.97 2.12 1.2254 5 3 9 78.20 2.14 1.2223 1 1 15 78.42 5.71 1.2195 2 8 6 78.78 1.15 1.2149 3 5 11 79.45 1.80 1.2063 1 9 3 81.50 1.41 1.1810 5 1 11 82.62 1.93 1.1679 1 3 15 82.81 1.30 1.1656 6 2 8 83.20 1.92 1.1611 7 1 3 83.24 2.67 1.1607 4 8 0 83.71 1.61 1.1554 2 4 14 83.86 4.03 1.1537 6 4 6 84.06 2.09 1.1515 3 7 9 84.41 4.54 1.1476 2 6 12 85.34 3.96 1.1374 4 4 12 85.71 1.34 1.1335 5 7 3 86.15 1.65 1.1287 3 1 15 86.76 1.74 1.1225 5 5 9 87.38 1.69 1.1161 3 9 3 87.57 1.33 1.1141 7 3 3 87.70 2.15 1.1128 6 6 0 89.00 1.30 1.0999 4 2 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.