Ba6Fe45Ti17O106 Vanderah T A, Wong-Ng W, Toby B H, Browning V M, Shull R D, Geyer R G, Roth R S Journal of Solid State Chemistry 143 (1999) 182-197 Characterization of ternary compounds in the BaO:Fe2O3:TiO2 system: Ba6Fe45Ti17O106 and BaFe11Ti3O23 Note: data from neutron and synchrotron radiation on powder _database_code_amcsd 0013967 CELL PARAMETERS: 19.4119 20.2777 10.0831 90.000 105.273 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 3828.812 Density (g/cm3): 5.062 MAX. ABS. INTENSITY / VOLUME**2: 11.87192275 RIR: 0.764 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.09 2.01 9.7270 0 0 1 2 12.12 1.28 7.3039 1 1 1 4 12.61 1.99 7.0191 0 2 1 4 15.96 5.92 5.5541 -1 3 1 4 18.13 3.16 4.8926 -1 1 2 4 18.21 4.61 4.8729 -2 0 2 2 18.24 4.65 4.8635 0 0 2 2 18.96 9.52 4.6816 4 0 0 2 19.31 1.10 4.5959 3 1 1 4 19.75 13.30 4.4955 0 4 1 4 19.92 5.05 4.4580 2 4 0 4 20.22 2.19 4.3920 -2 2 2 4 20.25 4.42 4.3851 0 2 2 4 20.85 14.15 4.2600 -2 4 1 4 21.99 1.84 4.0412 -1 3 2 4 22.43 2.55 3.9637 1 5 0 4 22.63 1.66 3.9294 -4 0 2 2 22.71 3.26 3.9147 2 0 2 2 22.96 5.28 3.8728 2 4 1 4 22.99 2.30 3.8691 3 3 1 4 23.51 1.23 3.7842 -5 1 1 4 23.76 1.83 3.7443 -1 5 1 4 23.96 2.00 3.7145 -3 3 2 4 24.01 3.88 3.7062 1 3 2 4 24.17 2.31 3.6830 5 1 0 4 24.29 3.68 3.6639 -4 2 2 4 24.37 2.99 3.6519 2 2 2 4 24.72 4.49 3.6011 1 5 1 4 25.35 2.00 3.5131 -2 4 2 4 25.75 7.60 3.4599 -4 4 1 4 26.30 5.59 3.3888 -5 1 2 4 26.37 6.10 3.3796 0 6 0 2 26.40 1.31 3.3762 3 1 2 4 26.49 3.39 3.3642 -3 5 1 4 26.64 2.79 3.3466 -5 3 1 4 27.62 2.88 3.2296 -6 0 1 2 27.81 9.12 3.2077 -3 1 3 4 28.04 24.48 3.1822 5 1 1 4 28.06 1.84 3.1798 -2 2 3 4 28.07 8.45 3.1789 2 6 0 4 28.75 6.39 3.1047 -2 6 1 4 28.81 11.92 3.0984 2 4 2 4 28.91 16.25 3.0883 0 2 3 4 29.02 13.06 3.0773 -6 2 1 4 29.03 26.97 3.0757 3 5 1 4 29.08 1.94 3.0709 -4 0 3 2 29.17 100.00 3.0617 4 4 1 4 29.24 6.83 3.0545 3 3 2 4 29.50 10.08 3.0277 1 1 3 4 29.66 59.07 3.0120 -6 0 2 2 29.79 16.70 2.9990 -1 3 3 4 29.82 22.21 2.9963 -3 5 2 4 29.86 30.59 2.9919 1 5 2 4 29.96 46.12 2.9829 6 2 0 4 30.35 24.21 2.9448 2 6 1 4 30.41 30.75 2.9390 -4 2 3 4 30.74 28.62 2.9085 5 3 1 4 31.08 2.59 2.8775 4 2 2 4 31.24 10.28 2.8628 1 7 0 4 31.69 18.78 2.8232 -5 1 3 4 32.03 21.69 2.7941 -2 4 3 4 32.05 13.19 2.7929 -5 5 1 4 32.09 5.39 2.7892 1 3 3 4 32.23 7.91 2.7771 -2 6 2 4 32.24 1.41 2.7767 -1 7 1 4 32.26 1.33 2.7753 0 6 2 4 32.54 3.58 2.7515 5 5 0 4 32.55 5.26 2.7506 -4 6 1 4 32.59 13.65 2.7474 -7 1 1 4 32.68 2.98 2.7402 4 6 0 4 32.73 10.79 2.7357 2 2 3 4 32.97 3.17 2.7168 1 7 1 4 33.57 18.86 2.6696 6 2 1 4 33.80 1.29 2.6522 7 1 0 4 34.01 4.45 2.6357 -7 1 2 4 34.12 34.40 2.6276 3 7 0 4 34.13 43.36 2.6269 -5 3 3 4 34.13 1.62 2.6268 5 1 2 4 34.14 3.39 2.6266 -4 4 3 4 34.20 22.62 2.6221 -5 5 2 4 34.27 27.29 2.6163 3 5 2 4 34.35 3.40 2.6106 -3 7 1 4 34.64 3.57 2.5894 -6 4 2 4 34.65 9.38 2.5885 3 1 3 4 34.98 21.24 2.5654 -7 3 1 4 35.02 3.88 2.5623 -4 6 2 4 35.08 6.39 2.5582 2 6 2 4 35.37 3.06 2.5374 4 6 1 4 35.39 3.75 2.5363 -6 2 3 4 35.40 11.40 2.5355 -3 5 3 4 35.41 3.20 2.5347 0 8 0 2 35.62 2.73 2.5208 -2 0 4 2 35.75 4.89 2.5117 -1 7 2 4 36.11 4.82 2.4874 7 3 0 4 36.25 34.14 2.4784 2 4 3 4 36.25 3.78 2.4782 -1 1 4 4 36.31 3.05 2.4738 -7 3 2 4 36.43 4.65 2.4665 5 3 2 4 36.73 1.91 2.4466 2 8 0 4 36.74 1.55 2.4463 -2 2 4 4 36.78 5.39 2.4437 1 5 3 4 36.89 4.97 2.4364 -4 0 4 2 36.97 17.04 2.4317 0 0 4 2 37.01 4.14 2.4290 6 4 1 4 37.04 33.09 2.4271 -3 7 2 4 37.08 7.89 2.4248 1 7 2 4 37.27 11.15 2.4123 -2 8 1 4 37.82 2.35 2.3787 -2 6 3 4 37.98 3.56 2.3690 -4 2 4 4 38.05 12.15 2.3647 0 2 4 4 38.14 5.66 2.3593 6 0 2 2 38.15 1.98 2.3592 -8 2 1 4 38.43 2.46 2.3422 -1 3 4 4 38.46 1.71 2.3408 8 0 0 2 38.48 1.15 2.3397 0 6 3 4 38.56 2.57 2.3350 2 8 1 4 38.60 2.10 2.3323 -5 5 3 4 38.73 2.14 2.3251 -5 1 4 4 38.83 1.08 2.3189 1 1 4 4 38.90 2.98 2.3152 -5 7 1 4 39.08 3.29 2.3049 -8 2 2 4 39.20 2.23 2.2979 6 2 2 4 39.32 1.40 2.2914 5 7 0 4 39.53 3.58 2.2796 7 3 1 4 39.66 2.55 2.2728 -4 6 3 4 39.94 1.68 2.2571 -2 4 4 4 40.10 2.24 2.2487 -2 8 2 4 40.39 2.33 2.2331 7 5 0 4 40.47 2.54 2.2290 4 8 0 4 40.58 20.89 2.2230 -6 0 4 2 40.72 37.00 2.2159 2 0 4 2 40.73 72.07 2.2151 -5 7 2 4 40.80 40.72 2.2115 3 7 2 4 41.10 1.69 2.1960 -4 4 4 4 41.12 3.92 2.1952 -1 9 1 4 41.13 1.14 2.1947 3 5 3 4 41.26 2.16 2.1882 -8 4 1 4 41.52 1.92 2.1748 2 6 3 4 41.59 6.85 2.1715 -6 2 4 4 41.61 1.13 2.1707 5 1 3 4 41.72 3.95 2.1648 2 2 4 4 42.48 1.29 2.1278 -3 5 4 4 42.49 2.26 2.1277 2 8 2 4 42.66 1.82 2.1193 3 9 0 4 42.74 1.93 2.1157 4 8 1 4 42.76 2.94 2.1146 -9 1 2 4 42.85 1.06 2.1103 -3 9 1 4 43.72 1.58 2.0705 -6 6 3 4 44.13 2.63 2.0523 -9 3 1 4 44.50 1.15 2.0359 -6 4 4 4 44.56 2.93 2.0332 3 9 1 4 44.70 3.39 2.0271 -5 5 4 4 44.80 1.86 2.0231 1 5 4 4 45.11 2.97 2.0098 -3 9 2 4 45.14 2.98 2.0084 1 9 2 4 45.70 4.94 1.9851 0 10 1 4 45.78 1.64 1.9818 2 10 0 4 45.83 2.12 1.9801 -1 1 5 4 45.83 6.96 1.9798 8 4 1 4 46.21 7.23 1.9647 -8 0 4 2 46.24 3.01 1.9635 -2 10 1 4 46.36 40.24 1.9586 -7 7 2 4 46.39 20.94 1.9574 4 0 4 2 46.45 16.56 1.9549 5 7 2 4 46.45 2.09 1.9548 -4 8 3 4 46.71 1.49 1.9448 -5 9 1 4 46.82 2.55 1.9402 -5 1 5 4 46.85 1.18 1.9394 -6 8 2 4 47.08 4.82 1.9302 -3 3 5 4 47.19 4.65 1.9259 -10 0 2 2 47.23 1.97 1.9243 8 6 0 4 47.33 3.94 1.9207 8 0 2 2 48.08 2.15 1.8924 -3 7 4 4 48.11 1.22 1.8914 2 8 3 4 48.11 3.71 1.8913 -1 7 4 4 48.33 1.22 1.8831 -9 5 2 4 48.72 1.15 1.8689 -1 9 3 4 49.04 1.83 1.8574 -6 2 5 4 49.22 1.67 1.8514 -3 9 3 4 49.50 2.92 1.8415 10 2 0 4 50.28 2.78 1.8148 1 9 3 4 50.46 5.61 1.8086 -10 4 1 4 50.89 1.03 1.7944 1 11 1 4 50.92 15.05 1.7933 4 10 1 4 51.49 3.60 1.7748 7 3 3 4 52.11 14.16 1.7552 -7 3 5 4 52.25 2.33 1.7508 -11 1 1 4 52.78 1.90 1.7345 -2 10 3 4 52.78 1.96 1.7344 -10 4 3 4 52.95 4.11 1.7293 10 2 1 4 53.31 9.84 1.7186 -10 0 4 2 53.46 43.05 1.7141 -9 7 2 4 53.53 21.69 1.7120 6 0 4 2 53.57 21.69 1.7108 7 7 2 4 53.84 1.24 1.7029 -3 11 2 4 54.15 1.31 1.6938 4 6 4 4 54.16 18.78 1.6936 3 7 4 4 54.81 1.28 1.6748 -3 1 6 4 54.83 1.92 1.6744 -4 0 6 2 54.99 1.12 1.6699 8 6 2 4 55.02 1.01 1.6689 5 5 4 4 55.69 9.84 1.6505 2 10 3 4 55.80 1.31 1.6475 -1 1 6 4 55.93 8.46 1.6441 -8 4 5 4 56.24 3.51 1.6356 6 10 1 4 56.67 4.08 1.6243 -6 0 6 2 56.79 2.45 1.6212 0 0 6 2 56.79 1.20 1.6211 1 9 4 4 57.04 4.23 1.6146 -1 11 3 4 57.31 2.14 1.6076 -9 3 5 4 57.39 1.46 1.6057 -1 3 6 4 57.61 5.49 1.6001 5 11 1 4 57.76 1.14 1.5962 0 12 2 4 57.82 1.54 1.5947 -12 2 2 4 57.89 4.84 1.5930 3 5 5 4 58.44 1.98 1.5793 1 11 3 4 58.55 1.25 1.5765 -2 8 5 4 58.89 4.72 1.5682 4 4 5 4 58.89 1.02 1.5682 9 1 3 4 59.11 1.19 1.5630 11 3 1 4 59.21 5.70 1.5605 12 0 0 2 59.57 1.13 1.5521 -9 7 4 4 59.59 1.74 1.5514 2 12 2 4 59.74 6.06 1.5480 -5 11 3 4 59.84 5.10 1.5456 -8 6 5 4 60.07 1.22 1.5402 -1 13 1 4 60.29 2.68 1.5351 -7 11 1 4 60.41 5.57 1.5324 -9 5 5 4 61.04 1.54 1.5179 7 11 0 4 61.58 21.54 1.5060 -12 0 4 2 61.73 25.14 1.5027 -11 7 2 4 61.83 13.50 1.5005 8 0 4 2 61.86 39.83 1.4999 9 7 2 4 61.92 2.24 1.4985 0 12 3 4 61.94 1.79 1.4981 -6 10 4 4 61.98 1.75 1.4972 -6 12 1 4 62.47 1.74 1.4867 3 7 5 4 62.50 14.27 1.4860 6 12 0 4 62.69 3.74 1.4821 4 6 5 4 62.76 2.21 1.4805 -4 12 3 4 63.00 1.16 1.4754 8 10 1 4 63.42 1.12 1.4668 7 11 1 4 63.97 1.36 1.4554 -11 3 5 4 64.03 2.45 1.4543 10 6 2 4 64.06 77.84 1.4536 -3 7 6 4 64.12 1.16 1.4524 -12 6 1 4 64.12 1.37 1.4523 2 12 3 4 64.32 36.44 1.4484 0 14 0 2 64.32 2.74 1.4482 -13 3 1 4 64.63 3.26 1.4422 6 12 1 4 65.07 2.39 1.4334 -8 8 5 4 65.26 1.02 1.4298 -12 6 3 4 65.35 1.45 1.4280 -5 1 7 4 65.55 1.27 1.4242 6 10 3 4 66.28 1.32 1.4101 -1 1 7 4 66.29 1.31 1.4099 -13 1 4 4 66.49 1.06 1.4061 -3 13 3 4 66.52 1.80 1.4057 -11 7 4 4 66.61 2.28 1.4040 5 13 1 4 66.73 1.41 1.4017 7 7 4 4 66.79 2.50 1.4005 -13 5 2 4 66.80 1.36 1.4005 -5 3 7 4 66.94 2.00 1.3979 11 5 2 4 67.26 7.93 1.3920 -9 5 6 4 67.45 2.40 1.3885 -4 12 4 4 67.48 5.09 1.3881 3 5 6 4 67.50 2.49 1.3877 0 12 4 4 67.72 2.96 1.3836 12 0 2 2 67.79 2.62 1.3823 4 8 5 4 68.07 1.13 1.3774 7 3 5 4 68.11 1.80 1.3767 0 2 7 4 68.30 2.25 1.3733 3 9 5 4 68.36 1.10 1.3723 -10 4 6 4 68.58 1.33 1.3684 -5 13 3 4 68.77 2.32 1.3650 -10 10 3 4 69.17 1.15 1.3581 -12 8 1 4 69.26 1.26 1.3565 1 1 7 4 69.61 1.63 1.3507 -8 2 7 4 69.93 5.10 1.3453 -6 12 4 4 70.02 4.15 1.3437 2 12 4 4 70.29 2.12 1.3393 11 3 3 4 70.31 1.47 1.3389 3 13 3 4 70.61 2.31 1.3339 -9 9 5 4 70.67 6.20 1.3329 1 3 7 4 70.90 1.43 1.3291 -14 0 4 2 71.04 2.97 1.3270 -14 4 1 4 71.06 2.20 1.3267 -13 7 2 4 71.18 1.30 1.3246 10 0 4 2 71.20 2.74 1.3244 11 7 2 4 71.29 1.76 1.3228 -14 4 3 4 71.49 2.00 1.3196 -8 10 5 4 71.88 1.23 1.3134 10 2 4 4 72.40 6.21 1.3053 -6 14 2 4 73.12 4.55 1.2942 -7 11 5 4 73.41 2.30 1.2898 13 7 0 4 73.95 1.18 1.2817 2 4 7 4 74.11 2.05 1.2794 4 10 5 4 74.51 1.05 1.2735 -14 6 1 4 74.68 1.51 1.2711 -13 5 5 4 75.35 1.23 1.2614 -15 3 3 4 75.50 1.97 1.2592 -15 3 1 4 75.83 1.94 1.2545 10 12 0 4 76.12 1.10 1.2505 -10 4 7 4 76.17 1.72 1.2497 -6 0 8 2 76.56 2.71 1.2444 0 14 4 4 76.86 1.09 1.2404 8 6 5 4 76.95 1.45 1.2391 -2 2 8 4 77.02 1.44 1.2382 -9 9 6 4 77.13 1.12 1.2367 1 15 3 4 77.30 1.11 1.2344 6 14 2 4 77.41 2.35 1.2329 -15 5 2 4 77.57 1.46 1.2307 13 5 2 4 78.52 3.02 1.2182 -8 0 8 2 78.54 1.12 1.2179 -5 13 5 4 78.70 1.61 1.2159 0 0 8 2 78.88 3.85 1.2136 -6 14 4 4 78.97 5.45 1.2124 2 14 4 4 80.50 2.28 1.1931 7 5 6 4 81.14 1.44 1.1853 13 3 3 4 82.07 1.44 1.1743 -16 4 3 4 82.30 1.18 1.1715 -4 16 3 4 82.40 9.02 1.1704 16 0 0 2 82.41 2.26 1.1702 -10 0 8 2 82.60 1.75 1.1681 10 4 5 4 82.73 1.08 1.1666 -11 13 1 4 82.93 3.97 1.1643 4 14 4 4 83.39 1.35 1.1590 -11 11 5 4 83.51 1.42 1.1576 -10 14 2 4 83.71 1.64 1.1553 -13 11 1 4 84.12 1.81 1.1508 -13 9 5 4 84.20 2.98 1.1498 -15 7 4 4 84.51 1.16 1.1465 15 7 0 4 85.29 1.26 1.1380 -14 10 1 4 86.52 1.02 1.1249 11 3 5 4 87.83 3.77 1.1115 -12 0 8 2 88.18 2.06 1.1080 4 0 8 2 88.22 1.12 1.1076 9 13 3 4 88.23 3.17 1.1075 -10 14 4 4 88.40 7.27 1.1058 6 14 4 4 88.44 2.80 1.1054 -9 7 8 4 88.94 1.11 1.1004 16 4 1 4 88.95 1.85 1.1004 -5 17 3 4 89.22 1.08 1.0977 11 11 3 4 89.59 2.61 1.0942 1 11 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.