Cebaite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060248 Yang Z Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 56-64 Structure redetermination of natural cebaite-(Ce), Ba3Ce2(CO3)5F2 Locality: Bayan Obo REE-Nb-Fe deposit, Inner Mongolia, China CELL PARAMETERS: 21.4170 5.0804 13.2890 90.000 94.943 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.00000 1.000 1.894 Ba 0.19280 0.00000 0.60060 1.000 1.479 Ba 0.00000 0.50000 0.50000 1.000 1.510 Ba 0.31300 0.00000 0.90470 1.000 1.529 Ce 0.10510 0.00000 0.28740 1.000 1.215 Ce 0.40020 0.00000 0.18540 1.000 1.188 C 0.54160 0.00000 0.20110 1.000 1.239 C 0.24560 0.00000 0.27550 1.000 1.601 C 0.04790 0.00000 0.64500 1.000 1.454 C 0.16020 0.00000 0.90360 1.000 1.324 C 0.34940 0.00000 0.54080 1.000 1.381 O 0.01220 0.27950 0.18510 1.000 1.703 O 0.12140 0.28180 0.44150 1.000 1.902 O 0.00980 0.00000 0.38560 1.000 2.234 O 0.21600 0.21540 0.27520 1.000 1.872 O 0.30690 0.00000 0.28230 1.000 2.045 O 0.40060 0.00000 0.76630 1.000 1.826 O 0.07740 0.22250 0.65830 1.000 1.950 O 0.10240 0.00000 0.86960 1.000 1.809 O 0.18970 0.22190 0.91660 1.000 1.923 O 0.29440 0.00000 0.49720 1.000 1.805 F 0.12510 0.00000 0.11270 1.000 2.022 F 0.42690 0.00000 0.01460 1.000 2.377 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 19 +/- 4 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 62.83508459 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.29 1.14 10.6687 2 0 0 16.62 3.08 5.3343 4 0 0 21.11 2.26 4.2081 -2 0 3 22.20 85.41 4.0036 -3 1 1 22.29 39.93 3.9891 4 0 2 24.81 1.79 3.5881 -3 1 2 27.36 100.00 3.2596 1 1 3 27.43 46.04 3.2518 -6 0 2 27.52 21.27 3.2413 -2 0 4 33.02 2.24 2.7131 -5 1 3 33.06 1.21 2.7098 4 0 4 34.18 6.10 2.6233 -2 0 5 34.48 1.25 2.6011 -7 1 1 35.33 22.95 2.5402 0 2 0 35.50 41.46 2.5291 7 1 1 37.42 1.49 2.4032 8 0 2 40.15 1.61 2.2458 4 2 1 41.02 1.35 2.2003 8 0 3 41.43 1.12 2.1795 7 1 3 42.08 1.50 2.1473 -9 1 1 42.18 31.74 2.1427 4 2 2 42.36 13.77 2.1337 10 0 0 42.50 29.20 2.1270 -5 1 5 42.55 15.26 2.1249 2 0 6 43.42 1.09 2.0840 -10 0 2 44.00 1.18 2.0581 -6 2 1 44.64 1.61 2.0300 -1 1 6 45.23 1.37 2.0049 4 2 3 45.30 18.63 2.0018 -6 2 2 45.36 19.58 1.9994 -2 2 4 45.48 8.50 1.9945 8 0 4 45.49 18.36 1.9939 5 1 5 45.49 17.13 1.9939 -9 1 3 47.64 1.42 1.9090 -6 2 3 51.38 10.56 1.7783 -1 1 7 51.42 5.04 1.7770 -8 0 6 51.44 1.63 1.7763 11 1 1 56.12 8.23 1.6388 -3 3 1 56.31 6.83 1.6338 10 2 0 56.42 6.34 1.6308 11 1 3 56.46 6.06 1.6298 2 2 6 56.61 2.42 1.6259 -12 0 4 56.81 3.20 1.6206 -4 0 8 58.46 1.26 1.5788 -1 1 8 58.69 6.73 1.5732 1 3 3 58.87 5.60 1.5687 8 2 4 58.98 4.70 1.5661 -13 1 1 63.53 5.61 1.4644 7 3 1 63.84 2.05 1.4580 14 0 2 63.94 3.30 1.4561 -8 2 6 64.07 1.51 1.4533 6 0 8 68.35 5.27 1.3723 -5 3 5 68.52 4.28 1.3694 -12 2 4 68.62 4.51 1.3676 9 1 7 68.70 3.50 1.3663 -4 2 8 68.80 3.24 1.3645 3 1 9 68.80 2.71 1.3645 -11 1 7 70.57 4.68 1.3345 5 3 5 70.57 3.17 1.3345 -9 3 3 70.87 1.28 1.3297 12 0 6 70.87 1.55 1.3297 -16 0 2 71.19 2.95 1.3245 -7 1 9 71.22 1.57 1.3240 0 0 10 74.74 2.91 1.2701 0 4 0 75.13 4.23 1.2645 14 2 2 75.18 3.05 1.2637 -1 3 7 75.34 2.88 1.2614 6 2 8 75.44 2.03 1.2601 -15 1 5 79.14 2.15 1.2102 4 4 2 79.36 1.72 1.2074 11 3 3 79.61 1.23 1.2042 17 1 1 81.33 2.60 1.1831 -6 4 2 81.37 1.82 1.1826 -2 4 4 81.55 2.02 1.1804 -13 3 1 81.75 1.22 1.1781 12 2 6 81.75 1.09 1.1781 -16 2 2 81.80 1.78 1.1774 15 1 5 82.09 2.09 1.1741 0 2 10 82.31 1.69 1.1715 -3 1 11 89.88 1.86 1.0914 10 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.