Bavenite Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T American Mineralogist 95 (2010) 519-526 Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals Locality: Ilimaussaq alkaline complex, South Greenland _database_code_amcsd 0005039 CELL PARAMETERS: 23.1965 4.9741 19.4221 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 2240.955 Density (g/cm3): 2.721 MAX. ABS. INTENSITY / VOLUME**2: 8.307074240 RIR: 0.994 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.62 5.39 11.5983 2 0 0 2 9.11 1.18 9.7111 0 0 2 2 11.89 9.45 7.4457 2 0 2 4 17.81 10.68 4.9789 4 0 2 4 18.27 5.60 4.8555 0 0 4 2 19.82 1.57 4.4789 2 0 4 4 20.42 7.71 4.3486 1 1 2 8 21.24 35.18 4.1833 3 1 0 4 22.87 2.95 3.8885 1 1 3 8 23.00 4.46 3.8661 6 0 0 2 23.15 9.17 3.8420 3 1 2 8 23.90 47.67 3.7229 4 0 4 4 24.79 1.01 3.5919 6 0 2 4 25.93 1.49 3.4362 1 1 4 8 26.27 33.91 3.3927 5 1 0 4 26.67 100.00 3.3421 5 1 1 8 27.56 20.91 3.2370 0 0 6 2 27.86 21.57 3.2028 5 1 2 8 28.63 16.66 3.1179 2 0 6 4 29.43 24.06 3.0352 1 1 5 8 29.53 8.68 3.0245 6 0 4 4 29.73 16.25 3.0050 5 1 3 8 31.43 13.41 2.8465 3 1 5 8 31.66 6.24 2.8265 4 0 6 4 32.19 1.09 2.7811 5 1 4 8 32.22 2.62 2.7784 8 0 2 4 32.80 4.17 2.7304 7 1 1 8 33.79 4.34 2.6529 7 1 2 8 35.05 14.21 2.5601 3 1 6 8 35.12 15.99 2.5553 5 1 5 8 35.38 9.04 2.5372 7 1 3 8 36.08 1.05 2.4895 8 0 4 4 36.19 6.30 2.4819 6 0 6 4 36.42 2.48 2.4669 0 2 1 4 36.97 3.15 2.4318 2 2 0 4 37.03 1.11 2.4278 0 0 8 2 37.26 6.85 2.4129 2 2 1 8 37.31 10.55 2.4100 1 1 7 8 37.86 1.16 2.3763 2 0 8 4 38.15 1.68 2.3589 2 2 2 8 38.82 3.43 2.3197 10 0 0 2 39.37 1.45 2.2884 9 1 0 4 39.59 12.63 2.2765 2 2 3 8 39.66 6.36 2.2727 9 1 1 8 40.10 10.86 2.2487 7 1 5 8 40.50 2.68 2.2274 9 1 2 8 40.76 8.41 2.2136 0 2 4 4 41.53 1.40 2.1743 2 2 4 8 41.58 1.10 2.1722 1 1 8 8 42.07 4.06 2.1478 5 1 7 8 43.08 3.98 2.0998 3 1 8 8 43.09 2.35 2.0993 7 1 6 8 43.22 2.36 2.0931 10 0 4 4 43.26 2.51 2.0916 6 2 0 4 43.73 11.38 2.0700 9 1 4 8 43.77 6.24 2.0680 4 2 4 8 45.97 5.82 1.9743 5 1 8 8 46.01 4.75 1.9726 1 1 9 8 46.03 2.60 1.9717 9 1 5 8 46.72 3.51 1.9443 2 2 6 8 46.77 5.96 1.9422 0 0 10 2 47.01 1.41 1.9330 12 0 0 2 47.04 4.73 1.9319 11 1 1 8 47.32 6.79 1.9210 6 2 4 8 48.45 1.16 1.8789 8 2 1 8 48.73 7.30 1.8686 9 1 6 8 48.77 2.03 1.8671 4 2 6 8 49.17 4.01 1.8531 8 2 2 8 50.10 7.53 1.8209 5 1 9 8 51.97 6.30 1.7595 8 2 4 8 52.06 9.34 1.7568 6 2 6 8 52.71 9.59 1.7367 11 1 5 8 52.74 7.60 1.7355 6 0 10 4 54.01 1.16 1.6979 8 2 5 8 54.06 1.54 1.6963 10 2 0 4 54.73 2.33 1.6772 10 0 8 4 54.95 2.85 1.6710 10 2 2 8 55.19 2.19 1.6642 4 2 8 8 55.36 4.83 1.6596 12 0 6 4 55.46 5.74 1.6569 14 0 0 2 55.79 4.45 1.6479 1 3 1 8 56.04 2.04 1.6409 10 2 3 8 56.43 2.32 1.6307 8 2 6 8 56.45 1.80 1.6300 0 2 9 4 56.89 4.13 1.6185 0 0 12 2 57.00 1.66 1.6156 3 3 1 8 57.55 1.15 1.6014 10 2 4 8 58.09 3.43 1.5879 7 1 10 8 58.82 1.06 1.5700 9 1 9 8 58.85 1.45 1.5691 4 2 9 8 58.89 3.99 1.5681 14 0 4 4 58.97 3.82 1.5662 5 1 11 8 60.01 1.44 1.5416 13 1 5 8 60.01 1.05 1.5415 5 3 2 8 60.18 1.30 1.5377 3 3 4 8 60.48 4.32 1.5307 0 2 10 4 60.88 1.28 1.5216 1 3 5 8 60.88 1.49 1.5216 12 2 1 8 61.50 4.42 1.5077 12 2 2 8 62.48 2.74 1.4864 5 3 4 8 62.65 1.46 1.4828 7 3 0 4 62.75 1.81 1.4808 9 1 10 8 62.78 1.98 1.4801 4 2 10 8 62.86 4.98 1.4785 7 3 1 8 63.94 2.72 1.4560 12 2 4 8 64.47 1.30 1.4454 7 3 3 8 65.73 4.06 1.4206 1 3 7 8 65.86 1.36 1.4181 7 3 4 8 67.13 3.17 1.3944 9 3 0 4 67.63 1.18 1.3853 7 3 5 8 67.98 1.52 1.3789 14 2 0 4 68.48 1.42 1.3701 12 0 10 4 69.76 1.40 1.3481 7 3 6 8 71.27 3.95 1.3231 16 0 6 4 71.38 2.36 1.3214 9 1 12 8 71.87 1.59 1.3136 7 1 13 8 71.92 1.03 1.3129 17 1 1 8 72.34 3.14 1.3063 11 1 11 8 72.37 2.17 1.3058 6 0 14 4 73.79 2.03 1.2841 5 1 14 8 74.23 1.11 1.2776 10 2 10 8 74.55 1.11 1.2730 2 2 13 8 74.74 1.50 1.2701 17 1 4 8 75.41 1.94 1.2605 14 0 10 4 76.05 3.36 1.2514 8 0 14 4 76.07 1.63 1.2512 1 1 15 8 76.12 1.09 1.2506 4 2 13 8 76.16 1.00 1.2499 16 2 1 8 76.81 1.48 1.2410 12 0 12 4 77.14 1.49 1.2364 2 4 0 4 77.20 1.17 1.2357 11 3 5 8 77.65 1.02 1.2297 16 2 3 8 78.22 1.12 1.2221 7 3 9 8 78.62 2.68 1.2169 5 3 10 8 78.70 1.35 1.2159 4 4 0 4 78.98 1.21 1.2122 13 3 1 8 79.39 1.60 1.2070 1 3 11 8 79.94 2.75 1.2000 12 2 10 8 80.03 1.01 1.1990 14 2 8 8 80.09 1.07 1.1982 2 4 4 8 81.30 3.00 1.1835 19 1 1 8 83.37 2.50 1.1593 13 3 5 8 83.58 1.90 1.1569 17 1 8 8 84.72 1.03 1.1442 18 2 0 4 85.26 1.58 1.1382 4 4 6 8 85.52 2.70 1.1355 7 3 11 8 87.71 1.58 1.1127 13 3 7 8 89.93 2.10 1.0909 0 2 16 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.