Burbankite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050646 Belovitskaya Yu V, Pekov I V, Kabalov Yu K Crystallography Reports 45 (2000) 26-29 Refinement of the crystal structures of low-rare-earth and "typical" burbankites by the Rietveld method Locality: Khibiny Massif, Kola Peninsula, Russia Sample: B-108 Note: x02 adjusted to satisfy symmetry constraints CELL PARAMETERS: 10.5173 10.5173 6.4759 90.000 90.000 120.000 SPACE GROUP: P6_3mc ATOM X Y Z OCCUPANCY ISO(B) Na 0.52370 0.47630 0.31900 0.728 1.700 Ca 0.52370 0.47630 0.31900 0.231 1.700 Y 0.52370 0.47630 0.31900 0.010 1.700 Sr 0.84100 0.15900 0.00000 0.633 0.880 Ba 0.84100 0.15900 0.00000 0.106 0.880 Ce 0.84100 0.15900 0.00000 0.074 0.880 La 0.84100 0.15900 0.00000 0.038 0.880 Nd 0.84100 0.15900 0.00000 0.016 0.880 Pr 0.84100 0.15900 0.00000 0.006 0.880 Ca 0.84100 0.15900 0.00000 0.047 0.880 C 0.79900 0.20100 0.53000 1.000 2.700 C 0.00000 0.00000 0.85000 1.000 2.000 C 0.33333 0.66667 0.49000 1.000 2.000 O 0.37600 0.08800 0.62800 1.000 1.600 O 0.93000 0.07000 0.35200 1.000 2.900 O 0.40600 0.59400 0.49000 1.000 1.700 O 0.77000 0.23000 0.35800 1.000 3.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 14.25726813 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.71 30.20 9.1082 1 0 0 16.80 36.43 5.2779 1 0 1 16.86 37.29 5.2586 1 1 0 19.49 26.26 4.5541 2 0 0 23.89 82.24 3.7252 2 0 1 25.88 13.10 3.4426 2 1 0 27.55 48.09 3.2380 0 0 2 29.27 5.02 3.0509 1 0 2 29.38 81.99 3.0398 2 1 1 29.42 19.24 3.0361 3 0 0 32.47 16.89 2.7572 1 1 2 32.57 28.12 2.7490 3 0 1 33.97 98.68 2.6389 2 0 2 34.10 100.00 2.6293 2 2 0 35.54 3.49 2.5262 3 1 0 38.16 1.85 2.3586 2 1 2 38.24 21.30 2.3535 3 1 1 39.58 8.00 2.2771 4 0 0 40.74 14.15 2.2148 3 0 2 42.06 92.58 2.1481 4 0 1 43.06 23.75 2.1005 1 0 3 44.38 51.84 2.0411 2 2 2 45.54 12.19 1.9917 3 1 2 45.62 13.75 1.9886 3 2 1 45.64 11.70 1.9876 4 1 0 46.56 46.39 1.9506 2 0 3 47.87 3.42 1.9001 4 1 1 48.90 29.63 1.8626 4 0 2 49.86 5.89 1.8288 2 1 3 51.98 6.22 1.7593 3 0 3 52.09 12.86 1.7557 3 2 2 52.16 25.04 1.7536 5 0 1 53.21 1.06 1.7213 4 2 0 54.14 7.17 1.6939 4 1 2 55.22 43.15 1.6635 4 2 1 56.04 5.47 1.6411 3 1 3 56.87 2.87 1.6190 0 0 4 58.16 5.11 1.5861 5 1 1 58.96 13.16 1.5666 4 0 3 59.77 1.16 1.5473 1 1 4 60.01 2.72 1.5415 3 3 2 60.71 8.65 1.5255 2 0 4 60.96 12.61 1.5199 4 2 2 61.04 7.40 1.5180 6 0 0 61.79 2.83 1.5014 3 2 3 61.97 1.62 1.4974 4 3 0 62.88 1.03 1.4780 6 0 1 63.80 9.29 1.4589 4 3 1 63.82 2.52 1.4585 5 2 0 65.32 3.53 1.4286 3 0 4 65.61 4.38 1.4228 5 2 1 67.42 2.84 1.3890 6 1 0 68.00 16.96 1.3786 2 2 4 68.23 11.62 1.3745 6 0 2 68.88 3.13 1.3631 3 1 4 69.90 16.03 1.3458 4 2 3 70.86 2.41 1.3298 5 2 2 71.50 4.69 1.3195 4 0 4 71.80 9.72 1.3147 4 4 0 72.50 1.52 1.3038 5 1 3 73.91 1.59 1.2823 1 0 5 74.08 4.48 1.2798 3 2 4 74.30 3.08 1.2765 6 1 2 74.36 2.08 1.2757 5 3 1 75.23 1.82 1.2631 6 2 0 75.78 2.33 1.2553 4 1 4 76.46 7.97 1.2458 2 0 5 76.90 11.12 1.2397 6 2 1 77.60 3.90 1.2304 4 3 3 78.53 8.88 1.2181 4 4 2 78.98 3.41 1.2122 2 1 5 79.27 9.89 1.2085 5 2 3 79.36 4.02 1.2073 7 0 2 81.08 1.42 1.1860 7 1 1 81.64 5.77 1.1793 4 2 4 81.86 4.25 1.1767 6 2 2 82.76 1.23 1.1662 5 4 0 83.96 1.41 1.1525 3 1 5 85.99 1.01 1.1305 7 1 2 86.44 4.88 1.1258 4 0 5 86.87 6.57 1.1213 8 0 1 87.54 1.25 1.1144 5 3 3 88.24 7.50 1.1074 6 0 4 89.28 1.17 1.0972 5 4 2 89.33 2.09 1.0967 7 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.