Tundrite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130563 Grice J D, Rowe R, Poirier G, Wight Q The Canadian Mineralogist 46 (2008) 413-422 Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure analysis and species characterization Locality: Mount Saint-Hilaire, Quebec, Canada _database_code_amcsd 0006184 CELL PARAMETERS: 7.5720 13.9380 5.0291 99.910 70.830 100.920 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ce 0.65730 0.77970 0.59520 1.000 0.764 Ce 0.21950 0.77840 0.31190 0.030 0.831 La 0.21950 0.77840 0.31190 0.621 0.831 Nd 0.21950 0.77840 0.31190 0.229 0.831 Pr 0.21950 0.77840 0.31190 0.081 0.831 Sm 0.21950 0.77840 0.31190 0.014 0.831 Na 0.00000 0.00000 0.50000 1.000 1.674 Na 0.13750 0.47190 0.17590 0.906 2.361 Ca 0.13750 0.47190 0.17590 0.039 2.361 Na 0.50000 0.50000 0.50000 1.000 2.258 Ti 0.60840 0.99963 0.19570 0.875 0.947 Nb 0.60840 0.99963 0.19570 0.109 0.947 Si 0.96220 0.85797 0.91290 1.000 0.671 C 0.79210 0.35460 0.23740 1.000 1.074 C 0.60110 0.65200 0.06010 1.000 0.987 O 0.93390 0.75550 0.70840 1.000 0.766 O 0.79390 0.91730 0.91170 1.000 0.861 O 0.16290 0.91610 0.72600 1.000 0.845 O 0.95750 0.84370 0.22690 1.000 0.908 O 0.40700 0.91790 0.06630 1.000 0.869 O 0.55070 0.91910 0.49700 1.000 0.908 O 0.87180 0.38110 0.98890 1.000 1.674 O 0.80800 0.40680 0.46290 1.000 2.092 O 0.33280 0.37740 0.76770 1.000 1.405 O 0.40230 0.39390 0.17620 1.000 1.540 O 0.30720 0.73340 0.74630 1.000 1.129 O 0.54620 0.73920 0.13370 1.000 1.026 OH 0.77900 0.78100 0.03300 0.110 2.369 H 0.27000 0.90000 0.19000 0.070 2.369 H 0.53000 0.86000 0.65000 0.070 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 36.11367257 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.50 100.00 13.5892 0 1 0 12.50 10.62 7.0788 1 0 0 13.03 70.44 6.7946 0 2 0 13.25 2.07 6.6813 -1 1 0 18.81 7.13 4.7168 0 0 1 18.90 3.06 4.6966 1 -1 1 19.16 5.06 4.6330 1 0 1 19.60 6.59 4.5297 0 3 0 20.82 5.73 4.2674 1 -2 1 21.52 1.45 4.1285 1 1 1 21.62 10.55 4.1095 0 -2 1 21.73 1.40 4.0899 -1 3 0 24.21 12.44 3.6760 0 2 1 24.43 16.28 3.6437 1 -3 1 24.80 3.58 3.5897 1 3 0 25.08 12.92 3.5511 -2 1 0 25.16 6.59 3.5394 2 0 0 25.44 13.14 3.5011 1 2 1 25.60 11.02 3.4796 0 -3 1 25.70 15.16 3.4664 -1 0 1 25.81 13.38 3.4520 2 -1 1 26.23 15.75 3.3973 0 4 0 26.68 15.79 3.3407 -2 2 0 26.92 17.94 3.3117 2 1 0 27.45 4.09 3.2492 -1 4 0 28.68 11.23 3.1130 2 1 1 28.71 14.70 3.1094 -1 -2 1 29.12 16.54 3.0666 -1 2 1 29.35 19.65 3.0434 2 -3 1 29.73 7.18 3.0050 -2 3 0 30.09 6.60 2.9700 2 2 0 30.55 5.04 2.9260 0 -4 1 30.78 1.78 2.9052 1 4 0 32.16 22.37 2.7834 2 2 1 32.25 16.57 2.7759 -1 -3 1 32.80 17.14 2.7304 -1 3 1 32.96 13.34 2.7178 0 5 0 33.06 10.05 2.7093 2 -4 1 34.31 7.98 2.6137 0 4 1 34.58 4.14 2.5939 1 -5 1 35.71 17.56 2.5145 1 -1 2 35.91 8.32 2.5008 1 4 1 36.08 3.89 2.4891 -2 0 1 36.13 2.43 2.4857 0 -5 1 36.20 3.84 2.4813 3 -1 1 36.28 3.33 2.4760 1 0 2 36.45 1.12 2.4650 -2 1 1 36.72 4.78 2.4474 -1 -4 1 37.38 1.05 2.4058 -1 4 1 37.67 7.53 2.3882 2 -5 1 37.75 12.45 2.3829 -3 1 0 38.01 1.22 2.3674 2 -1 2 38.06 5.50 2.3643 1 1 2 38.16 1.16 2.3584 0 0 2 38.24 3.90 2.3536 3 -3 1 38.27 4.55 2.3521 1 -3 2 38.78 6.10 2.3218 -2 5 0 39.01 3.54 2.3091 -2 -2 1 39.30 5.89 2.2928 2 4 0 39.69 2.35 2.2708 3 1 0 39.80 2.22 2.2649 0 6 0 39.81 1.18 2.2641 2 -3 2 40.21 2.70 2.2427 0 5 1 40.50 2.20 2.2271 -3 3 0 40.91 10.38 2.2059 1 2 2 41.72 1.28 2.1651 2 4 1 41.89 1.51 2.1568 -1 -5 1 42.30 1.64 2.1364 3 2 0 44.03 4.62 2.0568 -1 0 2 44.24 1.09 2.0474 3 -2 2 44.24 4.03 2.0472 3 -1 2 44.29 1.15 2.0452 -2 4 1 44.29 1.02 2.0450 -2 6 0 44.67 5.25 2.0288 1 3 2 45.02 14.71 2.0134 1 -5 2 45.27 5.14 2.0032 -1 -2 2 45.28 4.33 2.0027 3 -3 2 45.83 2.10 1.9801 2 -5 2 45.83 1.41 1.9800 3 3 0 45.93 2.80 1.9758 3 3 1 46.49 1.91 1.9534 0 6 1 46.79 1.69 1.9416 1 -7 1 46.80 4.76 1.9413 0 7 0 46.94 7.08 1.9357 -1 2 2 47.27 3.18 1.9230 -3 5 0 47.31 5.11 1.9212 3 -4 2 47.34 8.22 1.9202 3 1 2 47.40 4.37 1.9180 -1 -3 2 47.58 1.48 1.9111 -1 -6 1 47.99 1.05 1.8959 0 -5 2 48.10 1.84 1.8915 -3 0 1 48.12 6.32 1.8908 -3 1 1 48.23 5.22 1.8871 4 -1 1 48.29 2.13 1.8848 4 -2 1 48.29 3.68 1.8846 1 6 1 48.55 2.08 1.8751 0 -7 1 48.66 1.95 1.8713 -2 5 1 48.70 2.00 1.8698 2 -7 1 49.17 4.57 1.8531 1 4 2 49.33 1.33 1.8475 4 -3 1 49.59 1.47 1.8384 1 -6 2 50.12 1.96 1.8200 3 4 0 50.25 1.63 1.8156 3 -5 2 50.27 6.59 1.8149 -2 7 0 50.43 2.98 1.8097 -1 -4 2 50.87 8.49 1.7949 2 6 0 50.98 3.10 1.7915 -3 -2 1 51.01 3.99 1.7903 4 1 1 51.07 3.26 1.7886 -3 3 1 51.09 2.94 1.7879 -4 1 0 51.30 2.40 1.7808 4 -4 1 51.80 1.20 1.7648 -3 6 0 52.78 2.17 1.7345 -4 3 0 52.82 3.38 1.7332 -2 0 2 53.06 2.72 1.7260 4 -2 2 53.10 1.56 1.7247 0 7 1 53.14 2.39 1.7236 4 1 0 53.49 2.13 1.7132 -1 4 2 53.50 3.69 1.7127 2 6 1 53.72 4.16 1.7063 -1 -7 1 53.75 1.72 1.7053 -3 -3 1 53.98 1.42 1.6987 0 8 0 53.98 2.66 1.6985 3 -6 2 54.03 2.20 1.6972 3 3 2 54.14 1.91 1.6940 4 -5 1 54.24 1.70 1.6912 -1 -5 2 54.58 3.63 1.6816 -1 7 1 54.91 3.86 1.6722 2 -8 1 54.97 1.53 1.6703 -4 4 0 55.18 1.39 1.6646 1 -1 3 55.34 1.32 1.6601 2 -1 3 55.50 1.05 1.6558 4 2 0 56.10 1.12 1.6393 2 -3 3 56.43 1.31 1.6306 1 -3 3 56.66 1.58 1.6246 -2 8 0 57.27 4.54 1.6086 4 3 1 57.32 4.00 1.6075 -3 -4 1 57.46 5.20 1.6037 -3 5 1 57.76 3.78 1.5962 4 -6 1 58.27 1.33 1.5834 0 -1 3 59.00 1.25 1.5655 3 -3 3 59.95 1.79 1.5430 0 -3 3 60.03 1.03 1.5411 0 1 3 60.37 1.05 1.5333 -2 4 2 60.41 1.44 1.5323 3 -4 3 61.40 2.23 1.5099 0 9 0 61.51 1.32 1.5077 4 4 1 61.87 3.44 1.4996 3 1 3 62.16 3.48 1.4934 0 2 3 63.48 2.33 1.4655 3 -8 2 63.54 1.45 1.4643 3 5 2 63.60 1.15 1.4630 2 -6 3 63.87 2.77 1.4575 -1 -7 2 64.55 1.21 1.4437 4 -2 3 66.30 1.18 1.4099 -5 3 0 66.38 1.42 1.4082 4 5 1 66.49 1.35 1.4062 -3 -6 1 66.69 1.43 1.4025 -3 7 1 66.69 1.19 1.4024 1 -9 2 67.03 1.15 1.3963 4 -8 1 67.07 1.23 1.3955 -3 3 2 67.20 1.08 1.3931 -1 -9 1 67.49 1.48 1.3878 5 1 0 68.14 1.07 1.3762 3 3 3 68.48 1.71 1.3701 -1 7 2 68.52 1.05 1.3694 2 -10 1 68.69 1.20 1.3665 0 4 3 69.18 1.32 1.3580 3 6 2 70.61 1.03 1.3340 -2 10 0 72.25 1.04 1.3077 2 -8 3 72.78 1.04 1.2994 0 -7 3 72.81 2.32 1.2990 1 8 2 72.92 1.92 1.2972 -2 0 3 73.22 1.78 1.2926 5 -2 3 73.40 1.56 1.2899 1 -10 2 73.75 1.23 1.2848 3 -8 3 74.15 1.01 1.2787 5 -4 3 75.43 1.84 1.2602 -5 1 1 75.60 1.94 1.2578 6 -2 1 75.64 1.63 1.2572 2 -2 4 75.96 1.59 1.2528 2 -1 4 77.58 1.28 1.2306 -2 -4 3 77.85 1.45 1.2270 6 -4 2 77.98 1.18 1.2253 0 6 3 78.11 1.24 1.2235 5 -6 3 78.69 1.19 1.2160 -4 -2 2 78.72 1.03 1.2156 4 -10 1 80.44 1.01 1.1939 -2 4 3 80.60 1.40 1.1919 -2 -5 3 81.19 1.44 1.1847 5 -7 3 81.35 1.13 1.1828 -1 9 2 81.55 1.16 1.1804 -5 -3 1 81.92 1.14 1.1760 2 -6 4 82.08 1.06 1.1741 4 -4 4 82.16 1.13 1.1732 3 8 2 82.17 1.07 1.1731 -5 8 0 82.43 1.40 1.1700 -1 -11 1 83.53 1.16 1.1574 -1 11 1 83.93 1.46 1.1530 2 -12 1 84.60 1.21 1.1454 4 8 1 84.69 1.59 1.1445 2 3 4 85.06 1.05 1.1404 -3 10 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.