Weeksite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050330 Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R American Mineralogist 97 (2012) 750-754 Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O Locality: Anderson mine, Arizona, USA _database_code_amcsd 0018760 CELL PARAMETERS: 14.1952 14.2140 9.6278 90.000 111.568 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) U 0.09933 0.24679 0.89678 1.000 0.939 K -0.07070 0.00000 0.86020 0.951 2.914 K 0.24600 0.00000 0.84330 0.930 4.264 Si 0.00000 0.30680 0.50000 1.000 1.311 Si 0.18748 0.24984 0.24950 1.000 0.916 Si 0.29855 0.10998 0.50040 1.000 1.453 O 0.41050 0.12240 0.49960 1.000 2.606 O 0.07120 0.24400 0.13700 1.000 1.816 O 0.24720 0.25510 0.13670 1.000 1.895 O 0.03660 0.24370 0.64730 1.000 1.816 O 0.21620 0.15600 0.35460 1.000 2.132 O 0.27050 0.00000 0.49980 1.000 1.737 O 0.28920 0.15730 0.64670 1.000 2.053 O 0.10200 0.12010 0.90550 1.000 2.290 O 0.09900 0.37270 0.89720 1.000 2.527 Wa 0.43100 0.00000 0.84110 1.000 4.185 Wa -0.26240 0.00000 0.84410 0.980 4.658 Wa 0.00000 0.00000 0.50000 0.720 2.842 Wa 0.00000 -0.07900 0.50000 0.259 2.842 Wa -0.04640 -0.06140 0.60200 0.281 2.842 Wa -0.09170 -0.06360 0.39800 0.264 2.842 Wa -0.44500 0.00000 0.70200 0.240 1.895 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 13 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 58.91063331 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.88 56.19 8.9537 0 0 1 12.45 100.00 7.1070 0 2 0 13.41 1.42 6.6006 2 0 0 13.42 1.31 6.5958 -2 0 1 15.19 1.54 5.8339 1 1 1 15.92 53.74 5.5666 0 2 1 18.34 6.56 4.8365 2 2 0 18.35 7.14 4.8346 -2 2 1 19.42 15.74 4.5707 2 0 1 19.44 14.94 4.5659 -2 0 2 19.83 4.21 4.4768 0 0 2 21.12 1.29 4.2056 -1 3 1 23.14 19.36 3.8443 2 2 1 23.15 20.64 3.8415 -2 2 2 23.36 1.18 3.8075 1 3 1 23.40 1.23 3.8023 -3 1 2 25.06 26.55 3.5535 0 4 0 25.09 32.90 3.5488 -4 0 1 27.00 33.07 3.3029 0 4 1 27.02 3.57 3.3003 4 0 0 27.04 3.41 3.2979 -4 0 2 27.89 17.31 3.1988 2 0 2 27.92 16.54 3.1961 -2 0 3 28.10 45.38 3.1750 -4 2 1 28.53 2.75 3.1289 2 4 0 28.53 2.60 3.1284 -2 4 1 29.85 13.04 2.9933 4 2 0 29.87 13.15 2.9915 -4 2 2 29.94 8.40 2.9846 0 0 3 30.65 28.12 2.9170 2 2 2 30.67 29.14 2.9149 -2 2 3 31.90 2.77 2.8054 2 4 1 31.91 2.50 2.8043 -2 4 2 35.76 8.25 2.5110 -4 4 1 37.18 3.11 2.4182 4 4 0 37.20 2.99 2.4173 -4 4 2 37.35 5.26 2.4075 2 0 3 37.38 5.47 2.4058 -2 0 4 37.84 6.95 2.3774 2 4 2 37.86 6.65 2.3763 -2 4 3 37.98 5.63 2.3690 0 6 0 39.34 6.04 2.2902 0 6 1 39.43 3.12 2.2854 0 4 3 39.52 5.98 2.2802 2 2 3 39.55 5.62 2.2788 -2 2 4 40.29 5.18 2.2384 0 0 4 40.45 1.26 2.2297 2 6 0 40.46 1.39 2.2296 -2 6 1 41.02 6.39 2.2002 6 0 0 41.05 6.40 2.1986 -6 0 3 41.51 1.05 2.1756 4 2 2 42.33 5.24 2.1350 0 2 4 43.00 4.65 2.1033 2 6 1 43.01 4.95 2.1028 -2 6 2 43.04 2.76 2.1018 6 2 0 43.07 2.85 2.1004 -6 2 3 45.51 4.83 1.9931 2 4 3 45.53 5.04 1.9922 -2 4 4 45.95 7.36 1.9750 6 0 1 46.00 7.45 1.9731 -6 0 4 46.07 7.52 1.9703 -4 6 1 46.38 1.56 1.9577 -6 4 1 46.39 1.61 1.9573 -6 4 2 47.23 4.99 1.9245 4 6 0 47.24 5.07 1.9240 -4 6 2 47.78 5.05 1.9038 2 6 2 47.79 5.13 1.9032 -2 6 3 47.80 7.00 1.9029 6 2 1 47.84 6.80 1.9012 -6 2 4 48.03 1.26 1.8942 4 0 3 48.04 5.74 1.8940 0 4 4 48.08 1.36 1.8924 -4 0 5 48.67 4.37 1.8707 6 4 0 48.70 4.42 1.8697 -6 4 3 49.82 3.96 1.8303 4 2 3 49.87 3.76 1.8286 -4 2 5 51.00 4.47 1.7907 0 0 5 51.43 6.35 1.7767 0 8 0 51.50 4.01 1.7744 -8 0 2 52.51 3.80 1.7428 0 8 1 52.57 1.34 1.7409 -8 0 1 52.59 1.31 1.7402 -8 0 3 52.67 1.42 1.7379 6 0 2 52.71 4.49 1.7365 0 2 5 52.73 1.40 1.7360 -6 0 5 53.05 5.14 1.7263 6 4 1 53.09 5.17 1.7250 -6 4 4 53.21 6.42 1.7216 -8 2 2 54.25 1.81 1.6909 -8 2 1 54.27 1.78 1.6903 -8 2 3 54.33 4.38 1.6886 2 6 3 54.35 3.02 1.6881 6 2 2 54.35 4.19 1.6880 -2 6 4 54.40 2.95 1.6864 -6 2 5 55.49 2.52 1.6560 2 8 1 55.50 2.41 1.6558 -2 8 2 56.57 1.55 1.6270 0 6 4 57.13 1.44 1.6122 6 6 0 57.16 1.44 1.6115 -6 6 3 57.63 2.27 1.5994 4 0 4 57.64 2.21 1.5992 0 4 5 57.69 2.21 1.5980 -4 0 6 58.06 3.53 1.5888 -4 8 1 58.11 3.67 1.5875 -8 4 2 59.05 1.70 1.5644 4 8 0 59.06 1.62 1.5642 -4 8 2 59.18 2.18 1.5612 6 4 2 59.22 2.52 1.5604 4 2 4 59.24 2.16 1.5598 -6 4 5 59.27 2.59 1.5591 -4 2 6 59.52 2.42 1.5532 2 8 2 59.53 2.42 1.5529 -2 8 3 59.73 1.08 1.5483 -2 2 6 60.66 1.33 1.5267 0 8 3 61.09 2.47 1.5170 6 6 1 61.13 2.45 1.5161 -6 6 4 62.81 1.43 1.4794 4 6 3 62.85 1.37 1.4785 -4 6 5 63.72 1.76 1.4604 0 2 6 63.82 2.01 1.4585 4 4 4 63.87 1.91 1.4574 -4 4 6 65.27 2.42 1.4296 2 8 3 65.28 2.50 1.4292 -2 8 4 65.32 2.18 1.4285 0 6 5 65.69 1.01 1.4214 0 10 0 65.75 1.84 1.4202 -8 6 2 66.62 1.39 1.4038 0 10 1 66.67 1.74 1.4028 -8 6 1 66.69 1.66 1.4025 -8 6 3 66.76 2.03 1.4013 6 6 2 66.81 1.98 1.4003 -6 6 5 67.28 1.58 1.3916 0 8 4 67.79 2.21 1.3823 6 8 0 67.82 2.25 1.3819 -6 8 3 68.76 1.06 1.3653 8 2 2 68.83 1.13 1.3640 -8 2 6 69.30 1.06 1.3560 -10 2 1 69.33 1.08 1.3553 -10 2 4 69.64 1.00 1.3500 -4 2 7 71.12 1.38 1.3256 4 6 4 71.17 1.43 1.3248 -4 6 6 71.41 2.28 1.3209 6 8 1 71.45 2.26 1.3203 -6 8 4 71.46 1.25 1.3201 10 0 0 71.50 2.05 1.3195 -4 10 1 71.52 1.24 1.3192 -10 0 5 72.39 1.06 1.3055 4 10 0 72.40 1.10 1.3053 -4 10 2 72.81 1.91 1.2989 2 10 2 72.82 1.89 1.2988 -2 10 3 72.88 1.88 1.2979 10 2 0 72.94 1.87 1.2970 -10 2 5 73.85 1.13 1.2833 4 4 5 73.90 1.01 1.2824 -4 4 7 75.26 1.24 1.2626 0 6 6 75.36 1.99 1.2613 0 8 5 75.76 1.66 1.2555 -8 8 2 76.65 1.01 1.2432 -8 8 3 76.71 1.37 1.2424 6 8 2 76.76 1.27 1.2417 8 2 3 76.76 1.36 1.2417 -6 8 5 76.85 1.21 1.2404 -8 2 7 79.95 1.08 1.1999 0 10 4 80.86 1.14 1.1887 4 8 4 80.88 1.13 1.1885 8 4 3 80.91 1.10 1.1882 -4 8 6 80.97 1.18 1.1873 -8 4 7 81.34 1.23 1.1829 -12 0 3 82.24 1.11 1.1723 10 4 1 82.32 1.03 1.1713 -10 4 6 83.86 1.00 1.1537 6 10 1 83.89 1.00 1.1533 -6 10 4 83.91 1.14 1.1532 10 6 0 83.96 1.15 1.1525 -10 6 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.