Lemmleinite-Ba Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N American Mineralogist 89 (2004) 1655-1666 Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure Locality: Khibiny alkaline complex, Kola peninsula, Russia _database_code_amcsd 0003655 CELL PARAMETERS: 14.2446 13.7884 7.7500 90.000 116.709 90.000 SPACE GROUP: Cm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1359.764 Density (g/cm3): 2.946 MAX. ABS. INTENSITY / VOLUME**2: 7.580343650 RIR: 0.838 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.46 39.07 9.3512 1 1 0 2 12.79 83.73 6.9231 0 0 1 1 12.84 8.94 6.8942 0 2 0 2 13.16 45.85 6.7274 -1 1 1 2 13.92 40.38 6.3624 2 0 0 1 14.05 29.80 6.3044 -2 0 1 1 18.16 34.65 4.8851 0 2 1 2 18.29 7.97 4.8505 1 1 1 2 18.98 6.79 4.6756 2 2 0 2 19.08 27.62 4.6525 -2 2 1 2 20.07 5.96 4.4239 -3 1 1 2 20.55 3.30 4.3228 1 3 0 2 21.92 17.74 4.0541 3 1 0 2 22.52 16.40 3.9475 -1 3 1 2 24.29 6.15 3.6641 -1 1 2 2 25.01 23.72 3.5609 -4 0 1 1 25.68 2.38 3.4695 -3 1 2 2 25.74 8.92 3.4615 0 0 2 1 25.91 1.37 3.4384 1 3 1 2 26.29 12.80 3.3900 2 2 1 2 26.50 11.32 3.3637 -2 2 2 2 27.22 6.96 3.2761 -3 3 1 2 28.05 13.54 3.1812 4 0 0 1 28.21 100.00 3.1638 -4 2 1 2 28.31 18.80 3.1522 -4 0 2 1 28.64 5.58 3.1171 3 3 0 2 28.86 72.83 3.0935 0 2 2 2 28.94 58.90 3.0858 0 4 1 2 29.47 41.70 3.0308 2 4 0 2 29.53 39.54 3.0245 -2 4 1 2 29.95 10.94 2.9838 3 1 1 2 30.35 25.00 2.9450 1 1 2 2 30.52 1.72 2.9290 -1 3 2 2 30.96 20.73 2.8885 4 2 0 2 31.20 18.37 2.8668 -4 2 2 2 31.65 3.22 2.8267 -3 3 2 2 32.21 1.54 2.7788 -5 1 1 2 33.24 1.95 2.6951 1 5 0 2 33.66 4.43 2.6624 -5 1 2 2 34.54 8.61 2.5965 -1 5 1 2 34.62 13.11 2.5908 2 0 2 1 34.76 40.03 2.5808 2 4 1 2 34.89 29.29 2.5712 -2 0 3 1 34.92 33.14 2.5692 -2 4 2 2 35.27 4.62 2.5449 3 3 1 2 35.55 4.42 2.5255 -3 1 3 2 35.62 4.92 2.5207 1 3 2 2 35.88 1.13 2.5027 5 1 0 2 35.98 9.00 2.4961 4 0 1 1 36.27 8.53 2.4767 -4 4 1 2 36.40 18.22 2.4682 -4 0 3 1 36.80 7.07 2.4426 0 4 2 2 36.91 5.17 2.4354 -1 1 3 2 36.92 4.08 2.4344 1 5 1 2 37.07 4.44 2.4252 2 2 2 2 37.33 1.36 2.4091 -2 2 3 2 37.89 9.31 2.3747 -3 5 1 2 38.35 4.47 2.3470 4 2 1 2 38.51 12.77 2.3378 4 4 0 2 38.53 5.26 2.3366 -5 3 2 2 38.55 4.44 2.3354 -6 0 2 1 38.71 5.13 2.3262 -4 4 2 2 38.75 1.58 2.3238 -4 2 3 2 38.96 4.73 2.3120 3 5 0 2 39.03 6.45 2.3077 0 0 3 1 39.74 1.44 2.2682 -5 1 3 2 40.22 6.54 2.2425 -3 3 3 2 40.41 3.01 2.2321 -1 5 2 2 40.65 3.15 2.2194 -6 2 1 2 40.79 2.27 2.2120 -6 2 2 2 40.91 1.00 2.2058 3 1 2 2 41.25 7.73 2.1884 0 2 3 2 41.31 7.70 2.1858 -3 5 2 2 41.40 1.99 2.1810 0 6 1 2 41.79 3.43 2.1614 2 6 0 2 41.84 4.58 2.1591 -2 6 1 2 42.63 12.83 2.1208 6 0 0 1 43.04 9.52 2.1015 -6 0 3 1 43.55 9.95 2.0782 5 1 1 2 43.93 3.56 2.0610 -2 4 3 2 44.24 8.71 2.0474 3 5 1 2 44.53 3.81 2.0347 1 5 2 2 44.83 6.84 2.0217 4 4 1 2 45.11 1.51 2.0097 3 3 2 2 45.18 13.08 2.0068 -4 4 3 2 45.20 2.48 2.0061 -7 1 2 2 45.85 6.52 1.9790 2 6 1 2 45.89 2.34 1.9774 -5 5 1 2 45.98 1.88 1.9737 -2 6 2 2 46.04 1.50 1.9714 -7 1 1 2 46.66 6.59 1.9466 4 0 2 1 46.66 2.04 1.9466 1 7 0 2 46.87 6.42 1.9384 -6 4 1 2 46.98 1.40 1.9342 -5 5 2 2 47.00 3.22 1.9335 -6 4 2 2 47.06 4.26 1.9309 -4 6 1 2 47.17 2.38 1.9267 -4 0 4 1 47.41 3.34 1.9178 1 3 3 2 47.49 10.88 1.9146 0 6 2 2 47.56 2.01 1.9117 5 3 1 2 47.57 1.17 1.9114 2 0 3 1 47.65 1.89 1.9084 -1 7 1 2 48.28 3.72 1.8852 -7 1 3 2 48.43 3.28 1.8797 -3 5 3 2 48.89 3.25 1.8628 4 6 0 2 49.00 2.36 1.8589 -5 1 4 2 49.06 5.46 1.8570 -4 6 2 2 49.48 1.38 1.8419 2 2 3 2 49.77 3.67 1.8321 -2 2 4 2 49.90 1.96 1.8276 -7 3 1 2 50.35 4.63 1.8124 6 0 1 1 50.53 6.55 1.8063 6 4 0 2 50.65 1.82 1.8022 7 1 0 2 50.89 5.62 1.7943 -6 4 3 2 50.95 4.45 1.7924 -6 0 4 1 51.13 1.47 1.7865 3 7 0 2 51.31 12.20 1.7805 -8 0 2 1 51.76 1.04 1.7661 -5 5 3 2 52.18 1.09 1.7529 6 2 1 2 52.31 2.30 1.7489 -1 7 2 2 52.72 6.39 1.7362 3 5 2 2 52.77 1.99 1.7347 -6 2 4 2 52.90 6.41 1.7308 0 0 4 1 52.96 1.96 1.7290 -8 0 1 1 53.14 16.57 1.7235 0 8 0 2 53.27 3.18 1.7197 -8 0 3 1 53.28 1.14 1.7192 2 6 2 2 53.46 1.35 1.7138 3 1 3 2 53.98 1.82 1.6988 -1 3 4 2 54.11 6.35 1.6950 4 4 2 2 54.26 4.82 1.6907 4 6 1 2 54.56 2.16 1.6819 -4 6 3 2 54.57 12.51 1.6818 -4 4 4 2 54.68 3.36 1.6787 0 2 4 2 54.73 2.31 1.6771 -8 2 1 2 54.78 1.84 1.6759 1 5 3 2 54.90 1.19 1.6725 0 8 1 2 54.92 1.77 1.6718 5 5 1 2 54.93 2.60 1.6716 2 4 3 2 55.04 1.93 1.6686 -8 2 3 2 55.21 1.61 1.6636 2 8 0 2 55.75 1.28 1.6490 1 7 2 2 56.04 3.27 1.6410 -6 6 1 2 56.15 6.50 1.6380 -6 6 2 2 56.51 7.06 1.6284 0 6 3 2 56.95 1.28 1.6168 3 3 3 2 57.04 1.85 1.6147 -7 5 1 2 57.24 3.87 1.6094 1 1 4 2 57.44 1.16 1.6042 6 4 1 2 57.98 1.39 1.5906 8 0 0 1 58.00 4.23 1.5903 -6 4 4 2 58.24 1.84 1.5842 -3 5 4 2 58.33 1.22 1.5819 -8 4 2 2 58.68 1.01 1.5733 -2 8 2 2 59.08 1.08 1.5636 4 0 3 1 59.29 2.22 1.5585 6 6 0 2 59.59 5.46 1.5514 -4 8 1 2 59.61 1.74 1.5511 -5 5 4 2 59.62 3.21 1.5508 -6 6 3 2 59.66 2.77 1.5499 8 2 0 2 59.84 9.80 1.5455 -8 4 1 2 60.13 5.38 1.5388 -8 4 3 2 60.23 5.32 1.5365 -8 2 4 2 60.68 1.50 1.5261 -3 1 5 2 60.74 1.91 1.5248 4 2 3 2 60.79 1.08 1.5238 -1 5 4 2 60.91 3.85 1.5211 1 9 0 2 61.05 1.64 1.5177 7 5 0 2 61.30 1.52 1.5123 -4 8 2 2 61.31 4.07 1.5121 -4 2 5 2 61.34 1.07 1.5113 -6 0 5 1 61.68 1.83 1.5037 7 3 1 2 61.84 2.24 1.5003 -2 0 5 1 62.04 1.16 1.4960 -5 7 3 2 62.23 1.48 1.4919 6 2 2 2 63.14 1.77 1.4725 2 2 4 2 63.45 2.29 1.4660 -2 2 5 2 63.53 1.21 1.4645 -2 6 4 2 63.56 2.57 1.4638 3 5 3 2 64.52 2.04 1.4443 8 4 0 2 64.69 1.24 1.4409 3 9 0 2 64.87 1.40 1.4374 5 7 1 2 65.07 2.59 1.4334 -8 4 4 2 65.16 3.92 1.4317 -2 8 3 2 65.56 8.45 1.4239 4 4 3 2 65.85 4.71 1.4183 4 8 1 2 66.10 8.65 1.4135 -4 4 5 2 66.10 4.34 1.4135 5 1 3 2 66.12 5.51 1.4131 -4 8 3 2 66.48 1.50 1.4065 9 1 0 2 66.99 1.02 1.3970 6 4 2 2 67.34 1.15 1.3906 3 1 4 2 67.46 3.33 1.3884 8 2 1 2 67.55 1.01 1.3868 -6 8 2 2 67.78 1.21 1.3825 0 6 4 2 67.99 1.84 1.3788 0 10 0 2 68.26 2.79 1.3739 -8 2 5 2 68.40 2.81 1.3716 -9 5 2 2 68.73 3.37 1.3658 1 9 2 2 69.82 1.37 1.3470 -2 10 1 2 69.92 4.27 1.3455 -5 5 5 2 70.28 1.57 1.3393 -10 2 1 2 70.39 1.48 1.3375 6 8 0 2 70.52 2.83 1.3354 -9 5 1 2 71.99 2.47 1.3118 -10 4 2 2 72.15 4.18 1.3092 -10 4 3 2 72.89 1.27 1.2977 6 0 3 1 73.04 1.87 1.2954 4 0 4 1 73.37 2.94 1.2904 4 8 2 2 73.68 4.36 1.2858 -4 10 1 2 73.69 1.04 1.2856 -4 0 6 1 73.74 3.40 1.2848 0 4 5 2 73.77 1.84 1.2845 -6 0 6 1 73.92 1.27 1.2822 -1 5 5 2 74.00 5.82 1.2810 0 10 2 2 74.53 2.72 1.2731 4 2 4 2 74.58 1.70 1.2725 6 6 2 2 74.58 1.05 1.2725 10 0 0 1 74.79 1.87 1.2694 -10 4 1 2 75.18 1.47 1.2638 -4 2 6 2 75.25 1.10 1.2627 -6 6 5 2 75.27 3.55 1.2625 -10 4 4 2 75.48 1.12 1.2595 -7 1 6 2 76.05 1.47 1.2514 1 7 4 2 76.23 1.92 1.2490 6 8 1 2 76.63 1.20 1.2435 -5 3 6 2 76.71 1.35 1.2424 -6 8 4 2 77.00 3.50 1.2384 -8 8 2 2 77.02 1.51 1.2381 5 9 1 2 77.59 1.39 1.2305 7 5 2 2 77.77 1.32 1.2281 8 2 2 2 78.20 2.15 1.2224 -7 9 2 2 78.60 1.80 1.2172 2 10 2 2 79.10 1.68 1.2107 -3 11 1 2 79.44 2.75 1.2064 8 6 1 2 80.20 1.89 1.1969 -8 6 5 2 80.48 1.93 1.1934 -7 9 3 2 81.04 1.37 1.1865 1 5 5 2 82.13 1.03 1.1735 8 4 2 2 83.61 1.42 1.1565 -9 3 6 2 85.88 1.01 1.1316 -2 8 5 2 86.00 1.14 1.1304 -2 12 1 2 86.80 1.22 1.1220 -4 6 6 2 89.72 1.59 1.0929 -6 10 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.