Burbankite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120073 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 _database_code_amcsd 0012365 CELL PARAMETERS: 10.5320 10.5320 6.4381 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: 14.40456901 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.70 30.17 9.1210 1 0 0 16.84 37.25 5.2660 1 1 0 16.86 35.99 5.2598 1 0 1 19.46 26.24 4.5605 2 0 0 23.91 81.72 3.7214 2 0 1 25.84 13.10 3.4474 2 1 0 27.71 47.11 3.2190 0 0 2 29.38 19.24 3.0403 3 0 0 29.39 81.60 3.0391 2 1 1 29.42 4.93 3.0355 1 0 2 32.57 28.01 2.7492 3 0 1 32.60 16.61 2.7465 1 1 2 34.05 100.00 2.6330 2 2 0 34.09 97.23 2.6299 2 0 2 35.49 3.49 2.5297 3 1 0 38.23 21.24 2.3545 3 1 1 38.25 1.83 2.3528 2 1 2 39.52 8.00 2.2802 4 0 0 40.83 13.99 2.2103 3 0 2 42.04 92.39 2.1494 4 0 1 43.31 23.17 2.0890 1 0 3 44.45 51.37 2.0381 2 2 2 45.58 11.71 1.9904 4 1 0 45.58 13.74 1.9900 3 2 1 45.61 12.08 1.9890 3 1 2 46.78 45.48 1.9418 2 0 3 47.83 3.42 1.9016 4 1 1 48.95 29.39 1.8607 4 0 2 50.07 5.79 1.8219 2 1 3 52.11 25.02 1.7551 5 0 1 52.13 12.77 1.7544 3 2 2 52.17 6.11 1.7533 3 0 3 53.13 1.05 1.7237 4 2 0 54.18 7.13 1.6929 4 1 2 55.16 43.12 1.6651 4 2 1 56.21 5.39 1.6365 3 1 3 57.24 2.80 1.6095 0 0 4 58.10 5.11 1.5876 5 1 1 59.12 13.00 1.5628 4 0 3 60.03 2.70 1.5411 3 3 2 60.11 1.13 1.5392 1 1 4 60.95 7.41 1.5202 6 0 0 60.97 12.55 1.5196 4 2 2 61.05 8.44 1.5178 2 0 4 61.88 1.63 1.4995 4 3 0 61.94 2.79 1.4982 3 2 3 62.81 1.03 1.4795 6 0 1 63.72 2.52 1.4605 5 2 0 63.73 9.29 1.4604 4 3 1 65.54 4.38 1.4243 5 2 1 65.63 3.45 1.4225 3 0 4 67.32 2.85 1.3909 6 1 0 68.23 11.57 1.3746 6 0 2 68.30 16.63 1.3733 2 2 4 69.18 3.07 1.3580 3 1 4 70.01 15.88 1.3439 4 2 3 70.85 2.40 1.3300 5 2 2 71.69 9.74 1.3165 4 4 0 71.79 4.61 1.3149 4 0 4 72.60 1.51 1.3021 5 1 3 74.26 2.08 1.2771 5 3 1 74.28 3.07 1.2768 6 1 2 74.35 4.40 1.2758 3 2 4 74.41 1.54 1.2750 1 0 5 75.11 1.82 1.2649 6 2 0 76.05 2.30 1.2515 4 1 4 76.80 11.12 1.2411 6 2 1 76.94 7.78 1.2392 2 0 5 77.69 3.87 1.2292 4 3 3 78.49 8.85 1.2185 4 4 2 79.33 4.01 1.2078 7 0 2 79.36 9.81 1.2074 5 2 3 79.45 3.33 1.2062 2 1 5 80.97 1.42 1.1874 7 1 1 81.82 4.23 1.1772 6 2 2 81.89 5.69 1.1764 4 2 4 82.62 1.23 1.1678 5 4 0 84.41 1.38 1.1475 3 1 5 85.93 1.01 1.1311 7 1 2 86.74 6.57 1.1227 8 0 1 86.88 4.79 1.1212 4 0 5 87.60 1.24 1.1138 5 3 3 88.46 7.42 1.1052 6 0 4 89.20 2.09 1.0980 7 2 1 89.21 1.17 1.0978 5 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.