Grimselite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141028 Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I, Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P Mineralogical Magazine 76 (2012) 443-453 The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A Locality: Jachymov, Czech Republic _database_code_amcsd 0018908 CELL PARAMETERS: 9.2580 9.2580 8.2000 90.000 90.000 120.000 SPACE GROUP: P-62c ATOM X Y Z OCCUPANCY ISO(B) K 0.28970 0.00000 0.00000 0.821 2.803 Na 0.28970 0.00000 0.00000 0.179 2.803 Na 0.33333 0.66667 0.75000 1.000 2.234 U 0.66667 0.33333 0.75000 1.000 1.077 C 0.98870 0.62960 0.75000 1.000 1.895 O 0.96970 0.48000 0.75000 1.000 2.227 O 0.84970 0.63240 0.75000 1.000 2.479 O 0.66667 0.33333 0.96860 1.000 2.779 O 0.12930 0.75880 0.75000 1.000 2.692 Wa 0.00000 0.00000 0.12200 0.500 7.106 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 73.74584861 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.04 42.56 8.0177 1 0 0 15.46 100.00 5.7327 1 0 1 19.17 29.46 4.6290 1 1 0 21.68 19.17 4.1000 0 0 2 22.17 10.57 4.0088 2 0 0 24.38 20.80 3.6504 1 0 2 24.72 27.86 3.6015 2 0 1 29.09 39.11 3.0692 1 1 2 29.48 9.66 3.0304 2 1 0 31.20 2.26 2.8664 2 0 2 31.47 28.59 2.8425 2 1 1 33.53 30.04 2.6726 3 0 0 34.67 10.75 2.5871 1 0 3 36.88 4.86 2.4370 2 1 2 38.91 15.53 2.3145 2 2 0 39.92 6.23 2.2583 2 0 3 40.28 4.71 2.2389 3 0 2 40.57 2.74 2.2237 3 1 0 42.10 15.07 2.1462 3 1 1 44.18 7.85 2.0500 0 0 4 44.65 8.71 2.0297 2 1 3 44.98 21.02 2.0155 2 2 2 45.68 3.63 1.9861 1 0 4 46.46 8.68 1.9547 3 1 2 46.65 4.64 1.9471 4 0 1 48.57 3.70 1.8744 1 1 4 49.56 5.39 1.8394 3 2 0 49.97 3.11 1.8252 2 0 4 50.70 3.82 1.8007 4 0 2 50.88 10.50 1.7948 3 2 1 52.29 6.65 1.7496 4 1 0 53.09 6.15 1.7250 3 1 3 54.00 4.37 1.6980 2 1 4 54.69 2.17 1.6782 3 2 2 56.58 8.48 1.6266 3 0 4 56.97 2.10 1.6164 4 0 3 57.25 7.98 1.6092 4 1 2 57.35 3.30 1.6067 1 0 5 58.66 2.13 1.5737 5 0 1 59.95 3.38 1.5430 3 3 0 60.31 5.37 1.5346 2 2 4 60.69 5.00 1.5260 3 2 3 61.05 2.40 1.5179 2 0 5 61.52 2.05 1.5072 3 1 4 62.32 3.70 1.4900 4 2 1 64.53 1.93 1.4441 3 3 2 64.62 3.86 1.4423 2 1 5 64.74 1.37 1.4400 5 1 0 65.85 3.10 1.4183 5 1 1 67.75 1.17 1.3831 5 0 3 68.54 3.53 1.3691 3 2 4 70.47 2.17 1.3363 6 0 0 70.80 3.85 1.3308 4 1 4 71.15 2.13 1.3252 4 2 3 71.48 3.09 1.3199 3 1 5 72.05 2.46 1.3107 1 1 6 72.65 2.33 1.3014 4 3 1 73.81 2.05 1.2839 5 2 0 74.47 1.86 1.2740 5 1 3 74.71 1.95 1.2705 6 0 2 74.80 1.20 1.2693 4 0 5 75.81 1.86 1.2548 4 3 2 77.41 2.35 1.2328 3 3 4 77.99 3.47 1.2252 5 2 2 78.07 2.70 1.2241 3 2 5 78.50 1.02 1.2185 4 2 4 79.21 2.30 1.2093 6 1 1 80.98 1.52 1.1873 4 3 3 81.72 1.35 1.1784 5 1 4 81.85 2.55 1.1768 2 2 6 82.29 1.33 1.1717 6 1 2 82.92 1.16 1.1643 3 1 6 85.63 1.13 1.1344 7 0 1 87.05 1.91 1.1194 6 0 4 87.37 1.59 1.1161 6 1 3 87.69 1.51 1.1129 4 2 5 89.75 1.14 1.0926 2 1 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.