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 0003656 CELL PARAMETERS: 14.2446 13.7884 15.5000 90.000 116.709 90.000 SPACE GROUP: I2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 2719.528 Density (g/cm3): 3.062 MAX. ABS. INTENSITY / VOLUME**2: 7.361453775 RIR: 0.783 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.01 8.32 12.6089 -1 0 1 2 9.05 27.90 9.7702 0 1 1 4 9.46 50.94 9.3512 1 1 0 4 11.36 9.04 7.7864 1 0 1 2 12.79 99.81 6.9231 0 0 2 2 13.16 8.83 6.7274 -1 1 2 4 13.92 11.11 6.3624 2 0 0 2 14.00 1.22 6.3276 -2 1 1 4 14.05 24.36 6.3044 -2 0 2 2 17.18 15.67 5.1617 1 2 1 4 17.24 5.73 5.1425 -1 0 3 2 18.16 8.68 4.8851 0 2 2 4 18.29 15.81 4.8505 1 1 2 4 18.91 4.88 4.6941 2 1 1 4 18.93 3.52 4.6884 -3 0 1 2 18.98 2.85 4.6756 2 2 0 4 19.10 17.78 4.6476 -2 1 3 4 20.07 1.83 4.4239 -3 1 2 4 20.36 3.98 4.3621 0 3 1 4 20.55 2.00 4.3228 1 3 0 4 21.14 8.84 4.2030 -3 0 3 2 21.56 2.00 4.1221 -1 2 3 4 21.92 5.88 4.0541 3 1 0 4 22.94 11.74 3.8769 -3 2 1 4 23.03 1.45 3.8618 -2 3 1 4 24.29 1.30 3.6641 -1 1 4 4 24.81 5.36 3.5887 -3 2 3 4 25.01 22.43 3.5609 -4 0 2 2 25.74 3.42 3.4615 0 0 4 2 25.85 1.67 3.4471 0 4 0 2 25.91 1.11 3.4384 1 3 2 4 26.29 21.72 3.3900 2 2 2 4 26.36 3.37 3.3813 2 3 1 4 26.50 4.69 3.3638 -2 3 3 4 26.50 9.94 3.3637 -2 2 4 4 26.57 7.67 3.3542 -4 1 1 4 26.71 8.77 3.3371 -4 1 3 4 26.81 2.33 3.3251 -1 4 1 4 27.22 3.11 3.2761 -3 3 2 4 27.81 2.33 3.2084 3 2 1 4 28.05 12.93 3.1812 4 0 0 2 28.21 100.00 3.1638 -4 2 2 4 28.31 17.75 3.1522 -4 0 4 2 28.86 63.31 3.0935 0 2 4 4 28.94 70.04 3.0858 0 4 2 4 29.28 1.76 3.0497 2 1 3 4 29.47 37.28 3.0308 2 4 0 4 29.53 35.76 3.0245 -2 4 2 4 29.54 5.66 3.0241 -2 1 5 4 29.55 1.80 3.0226 -3 0 5 2 29.77 2.85 3.0006 -1 0 5 2 29.95 13.78 2.9838 3 1 2 4 30.35 26.06 2.9450 1 1 4 4 30.96 18.51 2.8885 4 2 0 4 31.20 7.86 2.8668 -4 2 4 4 31.24 4.74 2.8633 -1 4 3 4 32.34 5.71 2.7683 -3 2 5 4 32.40 6.38 2.7633 -4 3 1 4 32.52 3.22 2.7537 -4 3 3 4 32.54 7.98 2.7513 -1 2 5 4 32.80 5.40 2.7307 -5 0 1 2 32.99 3.34 2.7150 0 1 5 4 33.12 1.21 2.7046 0 5 1 4 33.62 13.65 2.6653 -3 4 3 4 34.25 1.81 2.6184 -5 2 3 4 34.54 7.88 2.5965 -1 5 2 4 34.62 17.31 2.5908 2 0 4 2 34.76 50.30 2.5808 2 4 2 4 34.89 25.55 2.5712 -2 0 6 2 34.91 5.67 2.5698 -2 3 5 4 34.92 32.16 2.5692 -2 4 4 4 35.35 5.63 2.5388 -5 2 1 4 35.98 8.23 2.4961 4 0 2 2 36.27 7.71 2.4767 -4 4 2 4 36.40 22.10 2.4682 -4 0 6 2 36.80 5.76 2.4426 0 4 4 4 36.91 4.12 2.4354 -1 1 6 4 36.92 6.18 2.4344 1 5 2 4 37.07 1.61 2.4252 2 2 4 4 37.35 4.21 2.4075 -2 5 3 4 37.89 8.78 2.3747 -3 5 2 4 37.93 2.92 2.3720 0 3 5 4 38.51 5.77 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 1.47 2.3238 -4 2 6 4 39.03 5.92 2.3077 0 0 6 2 39.83 1.25 2.2633 -1 4 5 4 40.22 3.46 2.2425 -3 3 6 4 40.41 2.29 2.2321 -1 5 4 4 40.57 2.83 2.2239 -6 1 1 4 40.79 2.51 2.2120 -6 2 4 4 40.95 1.53 2.2041 1 6 1 4 41.25 7.91 2.1884 0 2 6 4 41.27 4.15 2.1875 -5 4 3 4 41.31 7.15 2.1858 -3 5 4 4 41.79 4.21 2.1614 2 6 0 4 41.90 1.02 2.1561 -4 5 1 4 41.99 3.73 2.1515 -4 5 3 4 42.63 11.65 2.1208 6 0 0 2 43.04 11.65 2.1015 -6 0 6 2 43.54 1.25 2.0788 -5 0 7 2 43.55 7.43 2.0782 5 1 2 4 43.65 3.27 2.0734 3 4 3 4 43.71 1.53 2.0711 2 4 4 4 43.77 1.16 2.0683 2 5 3 4 43.88 2.03 2.0635 -3 6 1 4 43.95 1.22 2.0603 -2 5 5 4 44.24 11.25 2.0474 3 5 2 4 44.53 4.05 2.0347 1 5 4 4 44.61 1.10 2.0310 -7 0 3 2 44.79 2.38 2.0233 -6 3 1 4 44.83 8.08 2.0217 4 4 2 4 44.98 1.05 2.0152 1 4 5 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 9.40 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 46.37 1.92 1.9580 0 1 7 4 46.47 1.29 1.9540 0 5 5 4 46.62 1.54 1.9484 6 1 1 4 46.66 8.53 1.9466 4 0 4 2 46.87 2.39 1.9384 -6 4 2 4 47.00 5.01 1.9335 -6 4 4 4 47.06 3.95 1.9309 -4 6 2 4 47.16 2.60 1.9271 5 4 1 4 47.17 3.11 1.9267 -4 0 8 2 47.41 2.30 1.9178 1 3 6 4 47.43 1.89 1.9170 -7 0 1 2 47.49 8.85 1.9146 0 6 4 4 47.74 1.50 1.9052 -7 2 5 4 48.28 4.71 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 3.33 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 49.77 3.34 1.8321 -2 2 8 4 49.85 1.70 1.8294 -3 6 5 4 49.99 2.28 1.8245 -1 6 5 4 50.21 1.06 1.8169 0 3 7 4 50.35 3.45 1.8124 6 0 2 2 50.44 1.04 1.8092 6 3 1 4 50.53 5.92 1.8063 6 4 0 4 50.68 1.00 1.8013 -7 0 7 2 50.86 1.59 1.7955 -1 4 7 4 50.89 7.20 1.7943 -6 4 6 4 50.95 5.40 1.7924 -6 0 8 2 51.31 13.95 1.7805 -8 0 4 2 51.58 1.60 1.7719 1 2 7 4 52.01 1.93 1.7583 -5 6 1 4 52.31 1.83 1.7489 -1 7 4 4 52.72 8.78 1.7362 3 5 4 4 52.77 1.53 1.7347 -6 2 8 4 52.90 6.68 1.7308 0 0 8 2 52.96 2.81 1.7290 -8 0 2 2 53.14 19.46 1.7235 0 8 0 2 53.27 1.70 1.7197 -8 0 6 2 53.62 1.09 1.7093 -4 7 3 4 54.11 7.59 1.6950 4 4 4 4 54.26 2.70 1.6907 4 6 2 4 54.56 1.18 1.6819 -4 6 6 4 54.57 14.71 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 55.25 1.02 1.6625 -2 7 5 4 55.48 1.75 1.6561 7 2 1 4 56.04 1.93 1.6410 -6 6 2 4 56.15 7.85 1.6380 -6 6 4 4 56.51 7.09 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 3.68 1.6094 1 1 8 4 57.44 1.26 1.6042 6 4 2 4 57.53 1.20 1.6020 6 5 1 4 57.82 1.03 1.5947 -3 8 3 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 59.11 1.06 1.5628 -9 0 3 2 59.29 1.95 1.5585 6 6 0 4 59.59 5.21 1.5514 -4 8 2 4 59.61 2.21 1.5511 -5 5 8 4 59.62 4.52 1.5508 -6 6 6 4 59.66 1.80 1.5499 8 2 0 4 59.84 11.16 1.5455 -8 4 2 4 60.13 5.66 1.5388 -8 4 6 4 60.23 4.70 1.5365 -8 2 8 4 60.30 1.00 1.5349 -3 4 9 4 60.55 1.44 1.5291 7 4 1 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 61.30 1.38 1.5123 -4 8 4 4 61.31 2.90 1.5121 -4 2 10 4 61.68 1.61 1.5037 7 3 2 4 61.84 3.02 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 4.92 1.4183 4 8 2 4 66.10 10.23 1.4135 -4 4 10 4 66.10 5.46 1.4135 5 1 6 4 66.12 6.58 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 3.50 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 73.76 1.00 1.2846 -4 8 8 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 1.65 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 3.10 1.2625 -10 4 8 4 76.05 1.49 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 4.17 1.2384 -8 8 4 4 77.02 1.04 1.2381 5 9 2 4 77.59 1.02 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 2.05 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 1.05 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 1.44 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.