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 0003657 CELL PARAMETERS: 14.2446 13.7884 15.5000 90.000 116.709 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 2719.528 Density (g/cm3): 3.062 MAX. ABS. INTENSITY / VOLUME**2: 7.357511905 RIR: 0.782 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.38 27.31 13.8462 0 0 1 2 9.46 50.98 9.3512 1 1 0 4 9.50 3.52 9.3049 -1 1 1 4 12.43 2.46 7.1219 -2 0 1 2 12.79 99.81 6.9231 0 0 2 2 13.06 17.39 6.7800 1 1 1 4 13.16 8.83 6.7274 -1 1 2 4 13.92 11.12 6.3624 2 0 0 2 14.05 24.36 6.3044 -2 0 2 2 14.35 10.05 6.1715 0 2 1 4 17.77 4.19 4.9923 2 0 1 2 17.97 7.48 4.9365 -2 0 3 2 18.16 8.68 4.8851 0 2 2 4 18.29 15.81 4.8505 1 1 2 4 18.41 6.37 4.8183 -1 1 3 4 18.98 2.86 4.6756 2 2 0 4 20.00 7.09 4.4388 -3 1 1 4 20.07 1.83 4.4239 -3 1 2 4 20.55 2.01 4.3228 1 3 0 4 20.57 1.49 4.3182 -1 3 1 4 21.92 5.89 4.0541 3 1 0 4 22.11 14.63 4.0203 -3 1 3 4 22.15 20.95 4.0137 -2 2 3 4 22.46 3.94 3.9580 1 3 1 4 24.29 1.30 3.6641 -1 1 4 4 25.01 22.44 3.5609 -4 0 2 2 25.74 3.42 3.4615 0 0 4 2 25.76 2.96 3.4581 -4 0 1 2 25.85 1.68 3.4471 0 4 0 2 25.91 6.41 3.4394 -4 0 3 2 25.91 1.12 3.4384 1 3 2 4 26.00 4.45 3.4269 -1 3 3 4 26.29 21.74 3.3900 2 2 2 4 26.50 9.95 3.3637 -2 2 4 4 26.65 2.00 3.3450 0 4 1 4 27.17 1.55 3.2821 -3 3 1 4 27.22 3.10 3.2761 -3 3 2 4 28.05 12.94 3.1812 4 0 0 2 28.21 100.00 3.1638 -4 2 2 4 28.31 17.77 3.1522 -4 0 4 2 28.77 3.79 3.1028 -2 4 1 4 28.78 11.04 3.1016 -3 3 3 4 28.80 4.09 3.0996 -2 0 5 2 28.86 63.36 3.0935 0 2 4 4 28.88 3.18 3.0910 -4 2 1 4 28.94 70.06 3.0858 0 4 2 4 29.01 10.58 3.0777 -4 2 3 4 29.47 37.32 3.0308 2 4 0 4 29.53 35.78 3.0245 -2 4 2 4 29.95 13.78 2.9838 3 1 2 4 30.27 3.74 2.9525 -3 1 5 4 30.35 26.08 2.9450 1 1 4 4 30.49 7.23 2.9320 -1 1 5 4 30.96 18.51 2.8885 4 2 0 4 31.20 7.86 2.8668 -4 2 4 4 31.41 3.82 2.8479 2 2 3 4 31.54 5.60 2.8366 2 4 1 4 31.65 2.37 2.8270 -2 2 5 4 32.29 2.71 2.7727 -5 1 3 4 32.33 2.13 2.7692 0 0 5 2 33.45 5.35 2.6787 -5 1 1 4 34.20 1.16 2.6218 4 2 1 4 34.50 2.25 2.5995 1 5 1 4 34.54 7.89 2.5965 -1 5 2 4 34.62 17.32 2.5908 2 0 4 2 34.76 50.34 2.5808 2 4 2 4 34.89 25.58 2.5712 -2 0 6 2 34.92 2.83 2.5697 0 2 5 4 34.92 32.16 2.5692 -2 4 4 4 35.18 1.64 2.5507 3 1 3 4 35.55 1.06 2.5254 -3 3 5 4 35.74 3.08 2.5126 -1 3 5 4 35.98 8.23 2.4961 4 0 2 2 36.27 7.72 2.4767 -4 4 2 4 36.40 22.13 2.4682 -4 0 6 2 36.77 1.23 2.4445 1 1 5 4 36.80 5.76 2.4426 0 4 4 4 36.82 9.24 2.4413 -4 4 1 4 36.91 4.12 2.4354 -1 1 6 4 36.92 6.19 2.4344 1 5 2 4 37.07 1.60 2.4252 2 2 4 4 37.31 2.61 2.4102 -5 3 3 4 37.85 2.56 2.3770 -3 5 1 4 37.89 8.79 2.3747 -3 5 2 4 37.90 1.55 2.3740 -6 0 3 2 38.34 2.72 2.3476 -5 3 1 4 38.51 5.78 2.3378 4 4 0 4 38.55 2.26 2.3354 -6 0 4 2 38.71 4.02 2.3262 -4 4 4 4 38.75 1.46 2.3238 -4 2 6 4 39.03 5.91 2.3077 0 0 6 2 39.07 1.81 2.3057 -3 5 3 4 39.08 7.07 2.3048 -2 4 5 4 39.31 1.39 2.2918 5 1 1 4 39.89 1.59 2.2600 3 3 3 4 40.22 3.47 2.2425 -3 3 6 4 40.30 1.87 2.2379 -6 0 5 2 40.41 2.29 2.2321 -1 5 4 4 40.79 2.51 2.2120 -6 2 4 4 41.25 7.92 2.1884 0 2 6 4 41.31 7.16 2.1858 -3 5 4 4 41.51 2.37 2.1753 -4 4 5 4 41.79 4.22 2.1614 2 6 0 4 41.84 2.24 2.1589 0 4 5 4 42.19 2.79 2.1419 -6 2 1 4 42.63 11.66 2.1208 6 0 0 2 43.04 11.65 2.1015 -6 0 6 2 43.20 1.37 2.0942 4 2 3 4 43.44 3.38 2.0834 -2 6 3 4 43.55 7.44 2.0782 5 1 2 4 43.64 1.37 2.0741 5 3 1 4 43.71 1.53 2.0711 2 4 4 4 44.24 11.26 2.0474 3 5 2 4 44.47 1.90 2.0372 -3 5 5 4 44.53 4.05 2.0347 1 5 4 4 44.63 2.61 2.0304 -1 5 5 4 44.83 8.08 2.0217 4 4 2 4 45.11 2.62 2.0097 3 3 4 4 45.18 12.01 2.0068 -4 4 6 4 45.20 3.79 2.0061 -7 1 4 4 45.85 9.41 1.9790 2 6 2 4 45.89 1.77 1.9774 -5 5 2 4 45.98 1.52 1.9737 -2 6 4 4 46.12 2.23 1.9681 6 0 1 2 46.66 8.55 1.9466 4 0 4 2 46.82 2.97 1.9404 -5 5 1 4 46.87 2.39 1.9384 -6 4 2 4 47.00 5.02 1.9335 -6 4 4 4 47.06 3.96 1.9309 -4 6 2 4 47.17 3.11 1.9267 -4 0 8 2 47.41 2.31 1.9178 1 3 6 4 47.49 8.86 1.9146 0 6 4 4 47.54 1.31 1.9125 -1 3 7 4 47.59 2.72 1.9108 -4 6 3 4 47.84 1.74 1.9013 0 2 7 4 48.08 1.34 1.8925 6 2 1 4 48.25 3.16 1.8861 -6 4 1 4 48.28 4.72 1.8852 -7 1 6 4 48.43 1.90 1.8797 -3 5 6 4 48.89 2.75 1.8628 4 6 0 4 49.00 3.32 1.8589 -5 1 8 4 49.06 2.52 1.8570 -4 6 4 4 49.11 1.40 1.8552 -7 3 4 4 49.57 1.48 1.8390 -4 4 7 4 49.77 3.35 1.8321 -2 2 8 4 50.20 1.28 1.8175 1 1 7 4 50.35 3.45 1.8124 6 0 2 2 50.53 5.92 1.8063 6 4 0 4 50.89 7.21 1.7943 -6 4 6 4 50.95 5.40 1.7924 -6 0 8 2 51.22 1.48 1.7836 -3 7 3 4 51.31 13.96 1.7805 -8 0 4 2 51.85 1.53 1.7634 -8 0 5 2 52.31 1.83 1.7489 -1 7 4 4 52.72 8.77 1.7362 3 5 4 4 52.77 1.53 1.7347 -6 2 8 4 52.90 6.69 1.7308 0 0 8 2 52.96 2.81 1.7290 -8 0 2 2 53.14 19.47 1.7235 0 8 0 2 53.27 1.70 1.7197 -8 0 6 2 53.83 1.18 1.7030 1 3 7 4 54.11 7.60 1.6950 4 4 4 4 54.17 1.43 1.6932 7 1 1 4 54.26 2.70 1.6907 4 6 2 4 54.56 1.18 1.6819 -4 6 6 4 54.57 14.72 1.6818 -4 4 8 4 54.68 2.73 1.6787 0 2 8 4 54.78 1.64 1.6759 1 5 6 4 54.90 1.15 1.6725 0 8 2 4 54.92 1.54 1.6718 5 5 2 4 55.04 1.31 1.6686 -8 2 6 4 56.04 1.93 1.6410 -6 6 2 4 56.15 7.85 1.6380 -6 6 4 4 56.51 7.08 1.6284 0 6 6 4 56.95 1.29 1.6168 3 3 6 4 57.04 1.48 1.6147 -7 5 2 4 57.24 3.69 1.6094 1 1 8 4 57.44 1.26 1.6042 6 4 2 4 57.63 1.17 1.5995 7 3 1 4 57.71 1.17 1.5975 -5 7 1 4 58.00 2.37 1.5903 -6 4 8 4 58.24 2.49 1.5842 -3 5 8 4 58.33 1.93 1.5819 -8 4 4 4 59.08 1.34 1.5636 4 0 6 2 59.29 1.95 1.5585 6 6 0 4 59.59 1.06 1.5515 4 4 5 4 59.59 5.21 1.5514 -4 8 2 4 59.61 2.21 1.5511 -5 5 8 4 59.62 4.51 1.5508 -6 6 6 4 59.66 1.80 1.5499 8 2 0 4 59.84 11.17 1.5455 -8 4 2 4 60.13 5.67 1.5388 -8 4 6 4 60.23 4.71 1.5365 -8 2 8 4 60.68 2.33 1.5261 -3 1 10 4 60.91 4.91 1.5211 1 9 0 4 61.05 2.03 1.5177 7 5 0 4 61.19 1.04 1.5147 2 4 7 4 61.30 1.38 1.5123 -4 8 4 4 61.31 2.90 1.5121 -4 2 10 4 61.61 1.18 1.5053 8 0 1 2 61.68 1.61 1.5037 7 3 2 4 61.84 3.03 1.5003 -2 0 10 2 62.23 1.12 1.4919 6 2 4 4 63.14 1.68 1.4725 2 2 8 4 63.30 1.34 1.4692 1 9 2 4 63.45 3.22 1.4660 -2 2 10 4 63.56 2.43 1.4638 3 5 6 4 64.52 2.54 1.4443 8 4 0 4 64.99 1.18 1.4350 2 8 4 4 65.07 2.50 1.4334 -8 4 8 4 65.16 3.08 1.4317 -2 8 6 4 65.56 9.13 1.4239 4 4 6 4 65.85 4.93 1.4183 4 8 2 4 66.10 10.24 1.4135 -4 4 10 4 66.10 5.46 1.4135 5 1 6 4 66.12 6.59 1.4131 -4 8 6 4 66.48 1.59 1.4065 9 1 0 4 67.34 1.20 1.3906 3 1 8 4 67.46 2.90 1.3884 8 2 2 4 67.99 2.40 1.3788 0 10 0 2 68.26 2.50 1.3739 -8 2 10 4 68.40 3.20 1.3716 -9 5 4 4 68.73 3.83 1.3658 1 9 4 4 69.82 1.13 1.3470 -2 10 2 4 69.92 4.60 1.3455 -5 5 10 4 70.28 2.00 1.3393 -10 2 2 4 70.39 1.24 1.3375 6 8 0 4 70.52 3.51 1.3354 -9 5 2 4 71.99 2.30 1.3118 -10 4 4 4 72.15 4.08 1.3092 -10 4 6 4 72.89 1.39 1.2977 6 0 6 2 73.04 2.19 1.2954 4 0 8 2 73.37 3.76 1.2904 4 8 4 4 73.68 4.30 1.2858 -4 10 2 4 73.69 1.00 1.2856 -4 0 12 2 73.74 3.69 1.2848 0 4 10 4 73.77 1.67 1.2845 -6 0 12 2 73.92 1.53 1.2822 -1 5 10 4 74.00 5.24 1.2810 0 10 4 4 74.53 1.97 1.2731 4 2 8 4 74.58 1.66 1.2725 6 6 4 4 74.79 2.27 1.2694 -10 4 2 4 75.18 1.10 1.2638 -4 2 12 4 75.27 3.11 1.2625 -10 4 8 4 76.05 1.50 1.2514 1 7 8 4 76.23 1.53 1.2490 6 8 2 4 76.63 1.09 1.2435 -5 3 12 4 76.71 1.62 1.2424 -6 8 8 4 77.00 4.18 1.2384 -8 8 4 4 77.02 1.05 1.2381 5 9 2 4 77.59 1.03 1.2305 7 5 4 4 78.20 2.51 1.2224 -7 9 4 4 78.28 1.11 1.2214 -3 3 12 4 78.60 2.04 1.2172 2 10 4 4 79.10 1.48 1.2107 -3 11 2 4 79.44 2.51 1.2064 8 6 2 4 80.20 1.73 1.1969 -8 6 10 4 80.48 2.07 1.1934 -7 9 6 4 81.03 1.06 1.1866 -5 9 8 4 81.04 1.10 1.1865 1 5 10 4 82.11 1.13 1.1738 -10 6 2 4 85.88 1.45 1.1316 -2 8 10 4 89.72 1.66 1.0929 -6 10 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.