Tundrite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060837 Shumyatskaya N G, Voronkov A A, Ilyukhin V V, Belov N V Soviet Physics - Crystallography 21 (1976) 399-405 Tundrite, Na2Ce2TiO2[SiO4](CO3)2 - refinement of the crystal structure and chemical formula Locality: Khibiny Massif, Kola Peninsula, Russia Note: y(O11) adjusted to match reported bond lengths CELL PARAMETERS: 7.5560 13.9840 5.0082 100.764 70.486 101.375 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.50000 1.000 1.820 Na 0.14050 0.47470 0.17480 1.000 2.080 Na 0.50000 0.50000 0.50000 1.000 3.260 Ce 0.65650 0.77870 0.59230 1.000 0.830 Ce 0.21810 0.77760 0.31030 1.000 1.040 Ti 0.61000 0.99970 0.19470 1.000 0.100 Si 0.96100 0.85780 0.91150 1.000 0.370 C 0.79140 0.35340 0.24330 1.000 1.220 C 0.59930 0.65350 0.06230 1.000 0.710 O 0.93350 0.75630 0.70680 1.000 0.660 O 0.79250 0.91720 0.90890 1.000 0.810 O 0.16130 0.91670 0.72450 1.000 0.700 O 0.95630 0.84300 0.22430 1.000 0.880 O 0.40530 0.91850 0.06770 1.000 0.810 O 0.55040 0.91890 0.49930 1.000 0.740 O 0.87350 0.38130 0.99150 1.000 0.010 O 0.80960 0.40430 0.46230 1.000 2.410 O 0.33430 0.37610 0.77020 1.000 1.460 O 0.40460 0.39230 0.17710 1.000 1.370 O 0.30760 0.73580 0.74890 1.000 1.240 O 0.54580 0.74150 0.13390 1.000 0.910 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 33.08528896 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.50 100.00 13.5915 0 1 0 12.56 10.11 7.0461 1 0 0 13.03 84.72 6.7958 0 2 0 13.29 2.58 6.6645 -1 1 0 18.90 3.88 4.6962 1 -1 1 18.96 8.40 4.6800 0 0 1 19.26 6.07 4.6085 1 0 1 19.59 7.45 4.5305 0 3 0 20.72 6.52 4.2864 1 -2 1 21.60 12.32 4.1140 0 -2 1 21.71 1.79 4.0944 1 1 1 21.72 1.25 4.0914 -1 3 0 24.27 18.65 3.6676 1 -3 1 24.47 14.03 3.6385 0 2 1 24.86 4.14 3.5809 1 3 0 25.17 15.22 3.5378 -2 1 0 25.28 7.21 3.5230 2 0 0 25.51 12.51 3.4913 0 -3 1 25.67 13.85 3.4701 1 2 1 25.82 15.97 3.4501 2 -1 1 25.90 17.42 3.4398 -1 0 1 26.23 17.93 3.3979 0 4 0 26.75 17.24 3.3323 -2 2 0 27.06 20.40 3.2957 2 1 0 27.43 3.99 3.2514 -1 4 0 28.79 15.63 3.1005 -1 -2 1 28.85 12.72 3.0949 2 1 1 28.94 1.17 3.0849 1 -4 1 29.20 21.25 3.0581 2 -3 1 29.40 17.76 3.0385 -1 2 1 29.77 8.00 3.0009 -2 3 0 30.23 6.63 2.9567 2 2 0 30.42 5.67 2.9384 0 -4 1 30.61 1.08 2.9202 1 3 1 30.83 2.00 2.8998 1 4 0 32.28 17.98 2.7733 -1 -3 1 32.38 23.57 2.7646 2 2 1 32.86 11.29 2.7254 2 -4 1 32.95 13.97 2.7183 0 5 0 33.09 17.78 2.7071 -1 3 1 33.56 1.08 2.6700 -1 5 0 34.34 4.96 2.6114 1 -5 1 34.59 9.23 2.5930 0 4 1 35.86 18.95 2.5040 1 -1 2 35.97 2.89 2.4967 0 -5 1 36.19 9.47 2.4821 1 4 1 36.26 4.30 2.4771 3 -1 1 36.34 4.38 2.4719 -2 0 1 36.54 3.11 2.4593 1 0 2 36.71 5.49 2.4482 -1 -4 1 36.74 1.08 2.4463 -2 1 1 37.42 8.76 2.4032 2 -5 1 37.67 1.38 2.3876 -1 4 1 37.91 14.05 2.3731 -3 1 0 38.12 1.36 2.3607 2 -1 2 38.16 4.63 2.3583 3 -3 1 38.21 5.14 2.3553 1 -3 2 38.40 6.65 2.3439 1 1 2 38.47 1.21 2.3400 0 0 2 38.78 6.66 2.3219 -2 5 0 39.19 4.27 2.2987 -2 -2 1 39.43 6.62 2.2851 2 4 0 39.71 1.38 2.2696 2 -3 2 39.79 2.76 2.2653 0 6 0 39.89 2.63 2.2598 3 1 0 40.50 2.72 2.2274 0 5 1 40.61 2.55 2.2215 -3 3 0 41.33 10.94 2.1846 1 2 2 41.84 1.62 2.1592 -1 -5 1 42.01 1.26 2.1507 2 4 1 42.52 1.77 2.1263 3 2 0 44.02 1.13 2.0570 0 -4 2 44.24 1.31 2.0474 3 -2 2 44.28 1.16 2.0457 -2 6 0 44.35 4.39 2.0426 3 -1 2 44.40 4.95 2.0404 -1 0 2 44.61 1.33 2.0311 -2 4 1 44.80 16.87 2.0230 1 -5 2 45.14 6.21 2.0086 1 3 2 45.18 4.38 2.0069 3 -3 2 45.49 5.62 1.9941 -1 -2 2 45.55 2.28 1.9916 2 -5 2 46.05 1.78 1.9712 3 3 0 46.12 1.10 1.9682 -2 -4 1 46.22 3.16 1.9641 3 3 1 46.51 2.09 1.9527 1 -7 1 46.68 1.11 1.9459 -1 7 0 46.78 2.31 1.9418 0 6 1 46.79 5.59 1.9416 0 7 0 47.12 6.14 1.9287 3 -4 2 47.32 3.39 1.9210 -3 5 0 47.44 7.71 1.9166 -1 2 2 47.50 1.70 1.9140 -1 -6 1 47.54 4.82 1.9126 -1 -3 2 47.63 8.79 1.9091 3 1 2 47.86 1.09 1.9006 0 -5 2 48.34 2.30 1.8827 0 -7 1 48.35 2.34 1.8826 4 -2 1 48.35 5.50 1.8824 4 -1 1 48.39 2.25 1.8809 2 -7 1 48.43 1.96 1.8795 -3 0 1 48.47 6.49 1.8782 -3 1 1 48.60 4.06 1.8735 1 6 1 48.98 2.19 1.8597 -2 5 1 49.29 1.53 1.8486 1 -6 2 49.32 1.40 1.8476 4 -3 1 49.69 4.66 1.8349 1 4 2 49.97 1.76 1.8251 3 -5 2 50.24 7.55 1.8159 -2 7 0 50.34 2.11 1.8125 3 4 0 50.49 3.36 1.8075 -1 -4 2 51.01 9.42 1.7904 2 6 0 51.24 2.83 1.7830 4 -4 1 51.25 4.30 1.7824 4 1 1 51.25 3.24 1.7824 -3 -2 1 51.32 3.32 1.7803 -4 1 0 51.43 3.57 1.7767 -3 3 1 51.83 1.32 1.7639 -3 6 0 52.96 2.46 1.7290 -4 3 0 53.09 3.17 1.7250 4 -2 2 53.26 3.70 1.7199 -2 0 2 53.40 1.64 1.7157 0 7 1 53.41 2.60 1.7154 4 1 0 53.62 4.52 1.7093 -1 -7 1 53.63 3.18 1.7090 3 -6 2 53.84 3.90 1.7029 2 6 1 53.97 1.92 1.6989 0 8 0 54.00 1.89 1.6980 -3 -3 1 54.02 2.06 1.6976 4 -5 1 54.06 2.52 1.6962 -1 4 2 54.24 1.97 1.6912 -1 -5 2 54.47 2.52 1.6846 3 3 2 54.58 4.20 1.6815 2 -8 1 54.88 3.73 1.6730 -1 7 1 55.12 1.68 1.6661 -4 4 0 55.51 1.63 1.6553 1 -1 3 55.62 1.45 1.6525 2 -1 3 55.79 1.11 1.6479 4 2 0 56.15 1.14 1.6381 2 -3 3 56.54 1.49 1.6276 1 -3 3 56.61 1.62 1.6257 -2 8 0 57.54 4.33 1.6018 -3 -4 1 57.58 4.24 1.6007 4 -6 1 57.61 5.09 1.6000 4 3 1 57.73 1.14 1.5970 2 -4 3 57.83 5.59 1.5944 -3 5 1 58.56 1.13 1.5763 3 -2 3 58.68 1.44 1.5733 0 -1 3 59.01 1.30 1.5654 3 -3 3 60.15 1.89 1.5382 0 -3 3 60.30 1.58 1.5348 3 -4 3 60.63 1.26 1.5273 0 1 3 60.99 1.17 1.5192 -2 4 2 61.39 2.39 1.5102 0 9 0 61.88 1.11 1.4994 4 4 1 62.33 3.57 1.4897 3 1 3 62.84 3.50 1.4788 0 2 3 62.99 2.52 1.4756 3 -8 2 63.32 1.31 1.4688 2 -6 3 63.52 1.07 1.4646 -1 6 2 63.75 2.93 1.4600 -1 -7 2 64.09 1.65 1.4529 3 5 2 64.66 1.36 1.4415 4 -2 3 65.11 1.08 1.4327 -1 0 3 66.04 1.06 1.4147 -3 -2 2 66.25 1.38 1.4108 1 -9 2 66.56 1.29 1.4049 -5 3 0 66.66 1.54 1.4030 -3 -6 1 66.76 1.31 1.4012 4 -8 1 66.79 1.65 1.4006 4 5 1 67.05 1.67 1.3958 -3 7 1 67.06 1.10 1.3957 -1 -9 1 67.71 1.39 1.3838 -3 3 2 67.86 1.47 1.3812 5 1 0 68.15 1.11 1.3760 2 -10 1 68.79 1.16 1.3648 3 3 3 69.14 1.68 1.3586 -1 7 2 69.52 1.17 1.3522 0 4 3 69.78 1.28 1.3477 3 6 2 70.54 1.08 1.3350 -2 10 0 71.78 1.17 1.3150 2 -8 3 72.61 1.12 1.3021 0 -7 3 72.91 1.78 1.2975 1 -10 2 73.21 1.18 1.2928 1 -8 3 73.23 1.40 1.2926 3 -8 3 73.35 1.97 1.2907 5 -2 3 73.47 2.65 1.2889 1 8 2 73.60 1.97 1.2869 -2 0 3 74.05 1.08 1.2802 5 -4 3 75.83 2.15 1.2545 6 -2 1 75.95 2.08 1.2528 -5 1 1 76.01 1.97 1.2520 2 -2 4 76.45 1.55 1.2459 2 -1 4 77.45 1.09 1.2323 6 0 1 77.79 1.26 1.2278 5 -6 3 77.83 1.50 1.2273 6 -4 2 77.83 1.00 1.2272 -4 -1 2 77.93 1.33 1.2259 -2 -4 3 78.00 1.06 1.2250 3 5 3 78.36 1.11 1.2202 4 -10 1 78.94 1.25 1.2128 0 6 3 79.24 1.24 1.2090 -4 -2 2 80.76 1.65 1.1900 5 -7 3 80.87 1.54 1.1886 -2 -5 3 81.40 1.08 1.1823 -2 4 3 81.65 1.03 1.1792 6 -6 1 81.78 1.20 1.1777 2 -6 4 82.04 1.29 1.1746 -5 -3 1 82.08 1.28 1.1742 -1 9 2 82.09 1.15 1.1740 4 -4 4 82.24 1.58 1.1722 -1 -11 1 82.28 1.15 1.1717 -5 8 0 82.39 1.05 1.1705 0 -3 4 82.87 1.14 1.1649 3 8 2 83.49 1.65 1.1578 2 -12 1 83.86 1.31 1.1537 -1 11 1 85.12 1.26 1.1398 4 8 1 85.43 1.09 1.1364 -3 10 1 85.66 1.81 1.1340 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.