Kukharenkoite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110190 Krivovichev S V, Filatov S K, Zaitsev A N The Canadian Mineralogist 36 (1998) 809-815 The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation based on cation-coordinated F tetrahedra _database_code_amcsd 0005546 CELL PARAMETERS: 13.3530 5.0967 6.6460 90.000 106.500 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.07490 0.25000 0.29000 1.000 1.382 Ba 0.41615 0.25000 0.68880 1.000 1.342 Ce 0.76096 0.25000 0.98840 1.000 1.153 F 0.92830 0.25000 0.91100 1.000 2.132 C 0.72590 0.25000 0.50900 1.000 1.421 C 0.42680 0.25000 0.17400 1.000 1.500 C 0.12730 0.25000 0.79400 1.000 1.500 O 0.18260 0.25000 0.99100 1.000 1.974 O 0.69960 0.25000 0.31000 1.000 2.369 O 0.48990 0.25000 0.35800 1.000 1.895 O 0.39930 0.03100 0.07700 1.000 2.053 O 0.26250 0.96500 0.38600 1.000 2.053 O 0.89690 0.97000 0.30000 1.000 1.974 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 4 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 65.41412369 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.65 1.35 6.4868 -1 0 1 13.90 5.28 6.3723 0 0 1 21.52 1.87 4.1294 -3 0 1 22.18 80.47 4.0077 -1 1 1 22.31 37.24 3.9856 2 0 1 24.14 1.78 3.6860 -2 1 1 27.25 100.00 3.2721 3 1 0 27.40 20.58 3.2550 -4 0 1 27.50 42.62 3.2434 -2 0 2 28.00 1.32 3.1862 0 0 2 30.78 1.12 2.9046 1 0 2 32.17 2.55 2.7823 -1 1 2 33.58 1.49 2.6686 -4 0 2 33.82 5.54 2.6507 -5 0 1 34.75 1.14 2.5813 4 0 1 34.76 2.89 2.5808 -3 1 2 34.83 2.41 2.5755 2 0 2 35.22 21.91 2.5484 0 2 0 35.58 36.93 2.5235 1 1 2 38.03 1.12 2.3662 0 2 1 38.34 1.21 2.3479 -5 0 2 39.45 1.69 2.2841 1 2 1 39.83 1.57 2.2635 3 0 2 40.78 2.00 2.2126 -2 0 3 42.09 30.32 2.1470 2 2 1 42.36 15.32 2.1339 6 0 0 42.39 27.88 2.1325 -5 1 2 42.56 11.86 2.1241 0 0 3 43.76 1.13 2.0686 3 1 2 44.47 1.43 2.0371 -6 1 1 44.90 1.76 2.0189 -1 1 3 45.19 19.05 2.0065 -4 2 1 45.25 17.83 2.0038 -2 2 2 45.39 17.50 1.9982 5 1 1 45.52 7.97 1.9928 4 0 2 45.57 15.34 1.9905 -3 1 3 45.76 1.07 1.9826 3 2 1 46.82 1.20 1.9403 -3 2 2 48.80 3.08 1.8662 1 1 3 50.37 1.35 1.8115 2 2 2 50.68 1.15 1.8012 -5 1 3 51.13 10.84 1.7865 -7 1 1 51.36 4.83 1.7791 -6 0 3 55.95 8.09 1.6435 -1 3 1 56.23 6.07 1.6360 6 2 0 56.39 5.89 1.6316 0 2 3 56.55 3.34 1.6275 -8 0 2 56.56 5.44 1.6271 3 1 3 56.77 1.89 1.6217 -4 0 4 58.19 1.08 1.5854 -8 1 1 58.47 6.76 1.5784 3 3 0 58.67 1.60 1.5735 -3 1 4 58.83 5.27 1.5698 4 2 2 59.22 3.73 1.5603 -1 1 4 63.43 5.18 1.4665 1 3 2 63.80 3.06 1.4588 -6 2 3 63.87 1.50 1.4575 8 0 1 64.12 1.56 1.4523 2 0 4 68.13 5.20 1.3764 -5 3 2 68.39 3.81 1.3716 -8 2 2 68.48 3.55 1.3702 9 1 0 68.53 4.28 1.3692 7 1 2 68.59 3.58 1.3682 -4 2 4 68.76 2.44 1.3653 -7 1 4 69.60 1.43 1.3508 0 2 4 70.35 4.64 1.3382 5 3 1 70.49 2.87 1.3359 -3 3 3 70.83 1.71 1.3303 -10 0 1 70.92 2.96 1.3289 -9 1 3 70.94 1.10 1.3285 6 0 3 71.22 1.10 1.3240 -2 0 5 71.26 1.42 1.3234 3 1 4 74.46 2.82 1.2742 0 4 0 74.84 3.19 1.2687 -7 3 1 75.08 3.00 1.2652 8 2 1 75.13 1.01 1.2645 -1 1 5 75.32 3.39 1.2618 2 2 4 75.64 1.53 1.2573 -5 1 5 78.87 2.16 1.2137 2 4 1 79.34 1.50 1.2076 3 3 3 81.04 1.87 1.1865 -4 4 1 81.09 2.53 1.1859 -2 4 2 81.62 1.69 1.1795 -1 3 4 81.64 2.33 1.1793 -10 2 1 81.75 1.05 1.1780 6 2 3 81.85 1.84 1.1769 -11 1 2 82.00 1.43 1.1750 5 1 4 89.61 2.12 1.0940 6 4 0 89.75 1.67 1.0927 0 4 3 89.95 1.32 1.0907 9 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.