Remondite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120060 Marsh R E Acta Crystallographica C45 (1989) 1840-1840 Structure of Na3M3(CO3)5. Corrigendum _database_code_amcsd 0010081 CELL PARAMETERS: 10.4290 18.0510 6.3310 90.000 90.000 90.000 SPACE GROUP: Cmc2_1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.21530 0.26160 0.19050 1.000 1.600 Na 0.00000 0.47700 0.18950 1.000 1.500 Ce 0.00000 -0.15870 0.00000 1.000 1.030 Ca 0.26100 0.57940 0.00180 0.575 1.070 Ce 0.26100 0.57940 0.00180 0.110 1.070 Na 0.26100 0.57940 0.00180 0.200 1.070 Sr 0.26100 0.57940 0.00180 0.120 1.070 C 0.00000 -0.00020 0.16660 1.000 1.100 O 0.00000 0.07060 0.16710 1.000 2.300 O 0.10420 -0.03580 0.15970 1.000 2.500 C 0.00000 0.66720 0.02580 1.000 1.200 O 0.00000 0.59660 0.02630 1.000 1.900 O 0.10500 0.70340 0.02290 1.000 2.000 C 0.20420 0.40180 -0.03380 1.000 0.900 O 0.16540 0.38900 0.15270 1.000 1.500 O 0.27780 0.35430 -0.12980 1.000 1.600 O 0.16920 0.46060 -0.13250 1.000 1.600 C 0.00000 0.19680 -0.03530 1.000 0.900 O 0.00000 0.22280 0.15110 1.000 1.400 O 0.10690 0.18380 -0.13020 1.000 1.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 16 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 12.59361830 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.79 77.09 9.0302 1 1 0 17.00 2.44 5.2145 2 0 0 17.01 79.73 5.2118 1 3 0 17.10 100.00 5.1839 1 1 1 17.11 7.58 5.1830 0 2 1 19.66 18.55 4.5151 2 2 0 19.67 15.11 4.5128 0 4 0 24.21 47.83 3.6760 2 2 1 24.22 17.78 3.6748 0 4 1 26.10 15.44 3.4136 3 1 0 26.12 8.66 3.4116 1 5 0 28.19 38.65 3.1655 0 0 2 29.68 23.02 3.0101 3 3 0 29.73 49.30 3.0047 3 1 1 29.74 1.28 3.0038 2 4 1 29.75 55.09 3.0033 1 5 1 29.91 6.52 2.9873 1 1 2 29.91 1.16 2.9871 0 2 2 32.95 17.55 2.7185 3 3 1 32.96 10.92 2.7173 0 6 1 33.11 7.10 2.7059 2 0 2 33.11 29.15 2.7056 1 3 2 34.40 34.06 2.6072 4 0 0 34.42 66.47 2.6059 2 6 0 34.61 62.19 2.5919 2 2 2 34.61 36.72 2.5915 0 4 2 35.86 1.28 2.5041 3 5 0 35.87 5.39 2.5033 1 7 0 38.66 5.06 2.3292 4 2 1 38.67 19.01 2.3286 3 5 1 38.68 12.46 2.3279 1 7 1 38.80 3.12 2.3211 3 1 2 38.80 2.13 2.3207 2 4 2 38.81 1.21 2.3205 1 5 2 39.93 7.57 2.2576 4 4 0 39.96 1.57 2.2564 0 8 0 41.39 19.39 2.1813 3 3 2 41.40 3.79 2.1807 0 6 2 42.51 54.72 2.1264 4 4 1 42.53 32.00 2.1254 0 8 1 44.07 27.76 2.0550 1 1 3 44.07 1.26 2.0549 0 2 3 45.05 16.97 2.0125 4 0 2 45.06 32.90 2.0119 2 6 2 46.06 9.52 1.9707 5 3 0 46.09 9.02 1.9696 1 9 0 46.09 8.30 1.9692 5 1 1 46.11 7.12 1.9684 3 7 1 46.12 11.98 1.9682 2 8 1 46.23 4.49 1.9639 3 5 2 46.24 10.62 1.9635 1 7 2 47.56 31.32 1.9118 2 2 3 47.57 13.97 1.9116 0 4 3 48.38 1.62 1.8813 4 6 1 48.40 2.32 1.8807 1 9 1 49.60 22.05 1.8380 4 4 2 49.62 6.73 1.8374 0 8 2 50.87 5.28 1.7950 3 1 3 50.88 6.24 1.7947 1 5 3 52.66 1.19 1.7382 6 0 0 52.70 23.71 1.7368 5 5 1 52.73 2.80 1.7359 0 10 1 52.81 5.16 1.7336 5 1 2 52.82 7.26 1.7331 3 7 2 52.83 1.53 1.7329 2 8 2 52.99 2.92 1.7280 3 3 3 53.00 2.05 1.7277 0 6 3 53.74 1.00 1.7058 2 10 0 54.88 6.28 1.6730 5 3 2 54.90 5.64 1.6723 1 9 2 55.78 14.77 1.6480 6 2 1 55.80 15.55 1.6474 4 8 1 55.82 10.19 1.6471 2 10 1 57.07 5.17 1.6137 3 5 3 57.08 3.10 1.6135 1 7 3 58.30 2.88 1.5827 0 0 4 58.78 3.20 1.5710 5 7 1 58.80 5.18 1.5704 1 11 1 58.87 2.04 1.5687 5 5 2 60.01 6.13 1.5417 4 4 3 60.02 4.03 1.5413 0 8 3 60.82 4.63 1.5230 3 9 2 61.20 2.61 1.5145 1 3 4 61.62 4.97 1.5050 6 6 0 61.66 2.19 1.5043 0 12 0 61.75 3.88 1.5023 6 2 2 61.77 2.51 1.5019 4 8 2 61.78 6.35 1.5016 2 10 2 62.15 3.92 1.4936 2 2 4 62.15 2.49 1.4936 0 4 4 62.59 1.59 1.4841 4 10 0 62.86 3.07 1.4785 5 1 3 62.87 2.21 1.4782 3 7 3 64.43 2.24 1.4462 7 3 0 64.45 1.87 1.4457 5 9 0 64.46 4.07 1.4456 7 1 1 64.50 5.00 1.4448 3 11 1 64.56 1.37 1.4435 6 4 2 64.95 1.44 1.4358 2 4 4 66.30 1.20 1.4099 7 3 1 66.32 1.96 1.4094 5 9 1 66.34 2.40 1.4091 2 12 1 66.78 5.56 1.4009 3 3 4 68.13 2.08 1.3764 1 13 0 69.11 7.52 1.3592 6 6 2 69.14 3.25 1.3586 0 12 2 69.47 5.84 1.3530 4 0 4 69.48 11.10 1.3528 2 6 4 69.90 1.48 1.3457 7 5 1 70.38 2.31 1.3378 1 7 4 71.03 4.79 1.3271 6 2 3 71.05 5.01 1.3268 4 8 3 71.06 3.19 1.3266 2 10 3 71.76 2.33 1.3154 7 3 2 71.78 1.99 1.3151 5 9 2 72.51 3.10 1.3036 8 0 0 72.55 5.56 1.3029 4 12 0 73.00 3.23 1.2960 4 4 4 73.69 1.70 1.2856 1 11 3 75.18 3.34 1.2637 5 11 1 75.20 1.50 1.2635 3 13 1 75.29 2.03 1.2622 1 13 2 75.60 1.58 1.2578 5 1 4 75.62 2.19 1.2576 3 7 4 75.87 1.99 1.2539 1 1 5 77.32 1.96 1.2340 5 3 4 77.34 1.81 1.2338 1 9 4 77.73 3.06 1.2286 8 4 1 77.75 2.35 1.2283 6 10 1 77.78 3.76 1.2279 2 14 1 78.44 4.41 1.2192 2 2 5 78.45 1.95 1.2191 0 4 5 78.82 2.45 1.2144 7 1 3 78.85 2.89 1.2139 3 11 3 79.52 2.75 1.2054 8 0 2 79.56 4.75 1.2049 4 12 2 80.38 2.78 1.1946 7 7 2 80.52 2.40 1.1929 7 3 3 80.54 3.10 1.1927 5 9 3 80.56 3.70 1.1925 2 12 3 80.99 2.02 1.1872 3 1 5 81.00 2.38 1.1871 1 5 5 82.03 1.15 1.1747 1 15 1 82.43 1.76 1.1700 3 9 4 82.90 1.94 1.1646 8 4 2 82.93 2.43 1.1643 6 10 2 83.25 1.39 1.1606 6 2 4 83.28 2.42 1.1602 2 10 4 83.62 1.34 1.1564 9 1 0 83.67 1.94 1.1558 5 13 0 83.89 1.40 1.1533 7 5 3 86.04 1.62 1.1300 3 5 5 86.05 1.02 1.1299 1 7 5 87.11 1.08 1.1188 7 9 2 87.85 4.70 1.1113 8 8 1 87.91 1.24 1.1107 0 16 1 88.54 2.69 1.1044 4 4 5 88.56 1.65 1.1042 0 8 5 88.94 1.18 1.1005 5 11 3 89.96 4.65 1.0907 6 6 4 89.99 2.08 1.0904 0 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.