Dingdaohengite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150046 Li G, Yang G, Ma Z, Shi N, Xiong M, Sheng G, Fan H Kuangwu Xuebao 25 (2005) 313-320 The crystal structure of a new mineral dingdaohengite-(Ce) Locality: Bayun Obo, Inner Mongolia, China _database_code_amcsd 0014198 CELL PARAMETERS: 13.4256 5.7515 11.0996 90.000 100.633 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ce 0.43027 0.51328 0.76028 0.525 1.497 La 0.43027 0.51328 0.76028 0.365 1.497 Ca 0.43027 0.51328 0.76028 0.110 1.497 Ce 0.14386 0.49202 0.76557 0.525 1.345 La 0.14386 0.49202 0.76557 0.365 1.345 Ca 0.14386 0.49202 0.76557 0.110 1.345 Fe 0.00000 0.50000 0.50000 1.000 1.187 Ti 0.25198 0.25110 0.50003 0.440 1.059 Fe 0.25198 0.25110 0.50003 0.230 1.059 Mg 0.25198 0.25110 0.50003 0.200 1.059 Fe 0.25198 0.25110 0.50003 0.130 1.059 Ti 0.50000 0.50000 0.50000 0.990 1.118 Nb 0.50000 0.50000 0.50000 0.010 1.118 Ti 0.50000 0.00000 0.00000 0.970 1.373 Nb 0.50000 0.00000 0.00000 0.030 1.373 Si 0.29919 0.00060 0.76859 1.000 1.050 Si 0.35776 0.49980 0.04651 1.000 1.128 O 0.52190 0.25670 0.62670 1.000 1.429 O 0.52280 0.74660 0.62650 1.000 1.473 O 0.42120 0.26440 0.09430 1.000 1.975 O 0.43070 0.72080 0.09340 1.000 2.090 O 0.27530 0.23570 0.68500 1.000 1.393 O 0.26860 0.76740 0.68570 1.000 1.429 O 0.35430 0.50360 0.52260 1.000 1.245 O 0.31370 0.50350 0.90330 1.000 1.534 O 0.15210 0.49850 0.51080 1.000 1.310 O 0.22960 0.01840 0.87130 1.000 2.922 O 0.41520 -0.01780 0.82800 1.000 2.477 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 5 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 27.39367578 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.10 8.32 10.9090 0 0 1 13.42 8.36 6.5975 2 0 0 16.25 28.53 5.4545 0 0 2 18.14 37.88 4.8904 -1 1 1 19.23 33.42 4.6156 1 1 1 22.57 3.00 3.9388 -1 1 2 22.99 2.56 3.8679 2 0 2 24.48 17.05 3.6363 0 0 3 25.49 13.92 3.4938 3 1 0 25.61 27.27 3.4787 -3 1 1 27.93 65.06 3.1941 3 1 1 28.24 55.98 3.1599 -3 1 2 28.78 15.73 3.1022 -1 1 3 28.93 23.95 3.0861 -4 0 2 29.70 27.79 3.0075 4 0 1 30.17 1.52 2.9620 2 0 3 30.88 16.39 2.8953 1 1 3 31.10 50.48 2.8758 0 2 0 32.19 4.27 2.7808 0 2 1 32.39 45.00 2.7638 3 1 2 32.84 43.50 2.7272 0 0 4 32.84 56.50 2.7270 -3 1 3 33.13 11.31 2.7041 -4 0 3 34.01 5.88 2.6362 2 2 0 34.27 6.87 2.6170 4 0 2 34.40 4.08 2.6067 -2 2 1 35.28 18.75 2.5438 0 2 2 35.62 6.29 2.5204 2 2 1 35.94 1.92 2.4987 -1 1 4 36.76 1.77 2.4452 -2 2 2 37.00 1.20 2.4296 -5 1 1 37.50 3.80 2.3986 5 1 0 37.95 1.04 2.3707 2 0 4 38.25 6.93 2.3530 3 1 3 38.26 1.62 2.3526 1 1 4 38.76 5.89 2.3229 -4 0 4 38.80 2.28 2.3212 -3 1 4 39.97 9.76 2.2556 0 2 3 40.15 9.32 2.2457 4 0 3 40.31 5.17 2.2373 -6 0 1 41.34 4.90 2.1842 -6 0 2 41.48 23.56 2.1772 -4 2 1 41.67 12.47 2.1677 4 2 0 42.99 9.69 2.1039 -4 2 2 43.45 7.89 2.0826 6 0 1 43.54 8.94 2.0785 4 2 1 43.72 2.43 2.0707 -1 1 5 43.88 1.93 2.0633 2 2 3 44.01 5.28 2.0574 -6 0 3 45.07 12.06 2.0116 3 1 4 45.68 15.92 1.9860 -3 1 5 45.86 36.81 1.9789 0 2 4 46.01 1.49 1.9726 -5 1 4 46.07 3.67 1.9700 -4 2 3 46.09 9.23 1.9694 -2 2 4 46.17 1.44 1.9661 2 0 5 46.19 7.20 1.9655 1 1 5 46.94 3.24 1.9355 4 2 2 48.48 2.98 1.8776 -1 3 1 48.95 3.89 1.8609 1 3 1 49.85 8.66 1.8292 2 2 4 50.18 1.21 1.8182 0 0 6 50.51 2.65 1.8070 -4 2 4 50.78 10.90 1.7979 -7 1 2 50.98 10.56 1.7913 7 1 0 51.64 3.08 1.7700 4 2 3 51.77 3.60 1.7658 -6 2 1 52.04 1.41 1.7575 3 3 0 52.10 3.46 1.7555 -3 3 1 52.37 4.20 1.7469 6 2 0 52.43 1.87 1.7452 -2 2 5 52.45 3.71 1.7446 6 0 3 52.61 1.71 1.7396 3 1 5 52.62 9.22 1.7394 -6 2 2 52.66 2.61 1.7382 0 2 5 52.82 8.66 1.7333 -4 0 6 53.28 1.60 1.7193 -3 1 6 53.41 7.96 1.7153 3 3 1 53.42 4.89 1.7152 -6 0 5 53.59 5.89 1.7100 -3 3 2 53.91 2.12 1.7007 -1 3 3 54.39 9.03 1.6868 6 2 1 54.54 5.66 1.6825 4 0 5 54.59 2.03 1.6811 1 1 6 54.73 7.46 1.6772 -8 0 1 54.87 6.01 1.6733 -6 2 3 55.07 5.23 1.6677 5 1 4 55.12 3.09 1.6663 -8 0 2 55.20 2.49 1.6641 1 3 3 56.06 1.07 1.6404 -4 2 5 56.16 8.69 1.6379 3 3 2 56.28 6.73 1.6345 -7 1 4 56.45 8.87 1.6301 -3 3 3 56.84 4.73 1.6197 7 1 2 56.88 1.14 1.6186 -8 0 3 57.73 2.07 1.5971 6 2 2 59.30 4.48 1.5584 0 0 7 59.71 1.44 1.5486 -6 0 6 60.22 3.86 1.5368 0 2 6 60.71 2.27 1.5254 -1 1 7 60.78 4.70 1.5240 3 1 6 61.50 8.42 1.5079 -3 1 7 61.68 1.57 1.5038 8 0 2 62.57 2.94 1.4845 -4 2 6 62.74 1.05 1.4810 4 0 6 64.13 2.50 1.4522 4 2 5 64.20 1.80 1.4508 -8 0 5 64.35 2.51 1.4477 2 2 6 64.84 12.45 1.4379 0 4 0 65.24 3.42 1.4301 3 3 4 65.60 1.00 1.4231 6 0 5 65.72 4.59 1.4208 -3 3 5 66.12 1.47 1.4132 1 3 5 66.26 1.78 1.4106 -8 2 3 66.42 1.33 1.4076 8 0 3 66.55 2.02 1.4051 -7 1 6 67.36 2.29 1.3902 8 2 1 67.39 3.81 1.3896 7 1 4 67.82 2.06 1.3819 6 2 4 68.48 1.52 1.3702 0 2 7 68.84 2.15 1.3639 -9 1 4 68.85 3.69 1.3636 0 0 8 68.86 5.12 1.3635 -6 2 6 69.83 3.63 1.3469 -7 3 2 70.00 3.12 1.3441 7 3 0 70.69 3.20 1.3326 8 2 2 72.53 2.47 1.3034 -4 4 2 72.92 2.90 1.2972 4 4 1 73.05 2.49 1.2953 -8 2 5 73.43 2.06 1.2895 5 3 4 74.37 5.12 1.2755 6 2 5 74.48 2.62 1.2740 -7 3 4 74.62 6.02 1.2719 0 4 4 74.78 1.36 1.2696 -4 4 3 74.96 2.00 1.2669 7 3 2 75.43 1.05 1.2602 4 4 2 75.58 3.73 1.2581 -6 2 7 77.46 2.76 1.2321 0 2 8 78.42 2.00 1.2195 3 3 6 78.81 3.06 1.2144 -10 2 1 79.03 2.42 1.2116 3 1 8 79.06 3.68 1.2112 -3 3 7 79.08 1.10 1.2109 4 4 3 79.19 1.31 1.2096 -6 4 1 79.87 3.08 1.2010 -3 1 9 80.08 2.37 1.1984 4 2 7 80.50 1.22 1.1932 -11 1 2 80.70 2.18 1.1906 -11 1 1 80.74 2.54 1.1902 -7 1 8 81.31 1.45 1.1833 6 4 1 81.45 1.11 1.1816 -11 1 3 81.70 1.08 1.1786 -6 4 3 81.84 1.47 1.1770 7 1 6 84.44 1.72 1.1473 7 3 4 84.58 1.06 1.1457 11 1 1 85.63 2.44 1.1343 -10 2 5 85.78 1.03 1.1327 -9 3 4 85.83 2.32 1.1322 10 2 2 86.72 1.79 1.1228 8 0 6 87.64 1.02 1.1134 -10 0 7 88.02 1.03 1.1096 6 4 3 88.31 2.63 1.1066 -4 4 6 88.79 1.33 1.1019 3 5 1 88.79 1.52 1.1019 -6 4 5 88.94 1.40 1.1005 -3 5 2 89.21 1.46 1.0979 -4 0 10 89.28 1.11 1.0971 -7 1 9 89.70 1.95 1.0931 4 4 5 89.85 1.13 1.0916 -8 -4 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.