#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:33:16 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180760 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/81/2008100.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2008100_Fobs loop_ _publ_author_name 'Svensson, G.' 'Eriksson, L.' _publ_section_title ; BaNb~4-x~Ti~x~O~6~ (x = 0.53) ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 17 _journal_page_last 19 _journal_volume 55 _journal_year 1999 _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _exptl_crystal_F_000 257.93 _cod_data_source_file os1024sup2.hkl _cod_data_source_block ti712e #BEGIN Tags that were not found in dictionaries: _shelx_title ' ti712e from STOE' _shelx_refln_list_code 4 _shelx_f_calc_maximum 173.47 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 1 0 160.62 182.05 10.55 o 1 1 0 806.43 838.89 25.12 o 0 2 0 30091.49 29773.53 318.98 o 1 2 0 75.49 63.44 18.91 o 2 2 0 19924.34 19318.06 815.86 o 0 3 0 53.25 45.38 36.19 o 1 3 0 505.34 522.75 16.69 o 2 3 0 39.32 41.41 31.80 o 3 3 0 353.94 334.40 21.45 o 0 4 0 11643.98 11743.02 298.90 o 1 4 0 29.50 16.01 25.40 o 2 4 0 9551.82 9702.73 138.95 o 3 4 0 28.24 62.81 28.98 o 4 4 0 5911.63 6322.70 190.59 o 0 5 0 34.45 73.97 67.46 o 1 5 0 254.97 239.90 29.86 o 2 5 0 32.33 48.94 32.61 o 3 5 0 190.72 198.92 26.73 o 0 0 1 380.55 418.69 18.28 o 0 1 1 1246.41 1287.52 41.17 o 1 1 1 10797.41 10860.49 329.28 o 0 2 1 182.12 188.53 9.56 o 1 2 1 895.12 890.70 13.16 o 2 2 1 125.32 92.07 23.60 o 0 3 1 737.79 776.48 26.30 o 1 3 1 5256.63 5169.55 47.20 o 2 3 1 602.41 608.40 14.22 o 3 3 1 3410.35 3254.72 56.35 o 0 4 1 81.71 108.17 24.70 o 1 4 1 478.65 483.96 12.00 o 2 4 1 73.42 75.54 19.66 o 3 4 1 346.00 348.26 14.82 o 4 4 1 57.47 83.58 35.79 o 0 5 1 373.55 368.98 27.56 o 1 5 1 2424.56 2464.10 44.27 o 2 5 1 314.84 334.55 15.39 o 3 5 1 1793.99 1809.94 26.47 o 0 0 2 1682.63 1736.71 44.16 o 0 1 2 10371.55 10367.75 392.11 o 1 1 2 1256.51 1152.44 27.92 o 0 2 2 1175.65 1137.50 51.90 o 1 2 2 6754.93 6822.25 85.75 o 2 2 2 924.02 929.07 22.33 o 0 3 2 4935.22 4970.47 79.63 o 1 3 2 960.57 990.23 16.22 o 2 3 2 3923.65 3880.54 57.02 o 3 3 2 768.07 752.53 21.70 o 0 4 2 624.98 619.32 15.10 o 1 4 2 3296.17 3363.86 62.19 o 2 4 2 520.94 515.53 12.29 o 3 4 2 2341.22 2285.39 37.58 o 4 4 2 311.31 334.66 24.04 o 0 5 2 2258.11 2257.43 46.73 o 1 5 2 630.48 628.41 14.70 o 2 5 2 1956.36 1914.75 32.59 o 0 0 3 300.95 323.12 20.20 o 0 1 3 944.11 924.66 34.07 o 1 1 3 9358.94 9301.89 186.77 o 0 2 3 175.83 182.41 8.64 o 1 2 3 724.57 739.54 12.26 o 2 2 3 120.86 139.64 11.90 o 0 3 3 609.21 617.57 23.00 o 1 3 3 5044.40 5124.19 77.21 o 2 3 3 500.44 499.43 9.77 o 3 3 3 3365.40 3362.95 59.32 o 0 4 3 80.48 108.02 23.97 o 1 4 3 398.26 408.28 11.45 o 2 4 3 72.21 57.77 19.30 o 3 4 3 289.22 309.16 18.45 o 4 4 3 55.50 68.73 37.45 o 0 5 3 312.69 332.70 43.26 o 1 5 3 2419.63 2396.27 38.93 o 2 5 3 264.43 228.55 19.55 o 0 0 4 29673.45 29924.17 224.62 o 0 1 4 67.42 48.59 19.73 o 1 1 4 592.43 588.67 20.33 o 0 2 4 19737.95 19419.05 396.40 o 1 2 4 42.86 37.61 14.66 o 2 2 4 14649.82 14626.39 453.66 o 0 3 4 35.47 60.96 21.94 o 1 3 4 406.25 414.01 12.10 o 2 3 4 29.99 33.56 21.29 o 3 3 4 288.79 318.55 33.07 o 0 4 4 9508.82 9881.60 178.97 o 1 4 4 24.43 36.83 19.98 o 2 4 4 7994.50 7942.00 100.48 o 3 4 4 24.59 27.26 23.11 o 0 5 4 30.02 24.27 37.40 o 1 5 4 211.73 228.83 16.70 o 2 5 4 28.03 21.15 23.70 o 0 0 5 122.30 113.73 17.49 o 0 1 5 888.05 889.85 20.91 o 1 1 5 5522.07 5759.93 251.45 o 0 2 5 95.51 147.30 24.83 o 1 2 5 717.51 717.05 17.90 o 2 2 5 81.39 113.61 23.31 o 0 3 5 613.83 626.99 24.61 o 1 3 5 3480.54 3481.61 46.72 o 2 3 5 509.50 503.60 11.78 o 3 3 5 2446.89 2436.09 96.87 o 0 4 5 68.72 63.92 21.52 o 1 4 5 409.50 410.28 13.37 o 2 4 5 64.18 108.92 18.04 o 3 4 5 302.36 308.49 17.61 o 0 5 5 326.32 335.80 23.43 o 1 5 5 1800.87 1817.50 36.11 o 0 0 6 987.97 932.80 43.40 o 0 1 6 4859.25 4903.53 114.54 o 1 1 6 919.13 925.06 25.36 o 0 2 6 806.43 830.00 32.06 o 1 2 6 3874.74 3766.92 39.12 o 2 2 6 667.76 670.73 15.77 o 0 3 6 3143.69 3124.93 87.82 o 1 3 6 739.56 724.64 12.22 o 2 3 6 2656.51 2590.81 56.47 o 3 3 6 608.21 612.80 21.44 o 0 4 6 467.23 446.47 19.73 o 1 4 6 2319.74 2346.56 35.60 o 2 4 6 394.05 411.05 16.41 o 3 4 6 1724.59 1690.82 27.67 o 0 5 6 1662.87 1716.17 39.11 o 0 0 7 113.88 182.16 26.00 o 0 1 7 497.62 510.74 14.16 o 1 1 7 4904.49 4945.36 133.87 o 0 2 7 91.18 79.94 28.78 o 1 2 7 409.98 393.39 11.18 o 2 2 7 78.85 73.57 27.77 o 0 3 7 353.48 342.83 18.03 o 1 3 7 3356.19 3376.28 64.23 o 2 3 7 295.23 288.24 22.55 o 3 3 7 2438.98 2458.30 53.88 o 0 4 7 64.72 76.28 32.67 o 1 4 7 238.64 229.64 20.67 o 2 4 7 59.16 39.36 25.66 o 0 0 8 11398.90 11054.34 193.94 o 0 1 8 19.13 81.88 24.55 o 1 1 8 306.32 320.31 20.88 o 0 2 8 9383.31 9586.68 260.59 o 1 2 8 17.96 12.89 19.26 o 2 2 8 7901.37 7739.51 205.85 o 0 3 8 19.74 10.08 30.24 o 1 3 8 220.97 234.97 16.21 o 2 3 8 18.95 24.11 24.70 o 0 4 8 5832.02 5794.80 170.77 o 1 4 8 15.95 37.79 24.35 o 0 0 9 68.67 -54.25 72.32 o 0 1 9 518.02 539.39 19.87 o 1 1 9 2479.85 2517.76 53.38 o 0 2 9 65.17 111.96 17.44 o 1 2 9 434.57 434.48 14.94 o 2 2 9 61.15 16.63 33.25 o 0 3 9 380.88 350.81 40.27 o 1 3 9 1815.70 1830.21 31.63 o 2 3 9 323.55 312.37 24.33 o 0 0 10 530.88 587.93 43.54 o 0 1 10 2198.02 2234.66 48.53 o 1 1 10 567.01 568.72 34.14 o 0 2 10 448.95 423.31 23.11 o 1 2 10 1906.30 1938.09 43.93 o 2 2 10 381.93 357.93 24.95 o 0 0 11 63.91 74.24 74.24 o 0 1 11 210.72 256.11 24.98 o 1 1 11 2490.05 2482.41 55.66 o