#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/29/1542919.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1542919 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 7.104645(63) _cell_length_b 7.104645(63) _cell_length_c 6.986941(72) _cod_data_source_file Ba0p92Eu0p08BPO5.fcf _cod_data_source_block a #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz '-x, -x+y, -z+1/3' '-x+y, -x, z-1/3' '-y, x-y, z+1/3' 'y, x, -z' 'x-y, -y, -z-1/3' 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 1 0 0.57 0.60 180.00000 0 1 1 4.35 4.34 119.99999 1 0 1 19.48 19.49 240.00000 1 1 0 80.82 80.62 113.49482 1 1 1 9.64 9.31 58.68830 0 2 0 37.80 37.48 0.00000 0 1 2 93.80 93.72 240.00000 1 0 2 12.61 12.61 120.00000 2 0 1 0.81 0.76 59.99993 0 2 1 21.95 20.68 120.00000 1 1 2 22.47 22.43 52.31274 0 0 3 21.35 21.47 359.99999 2 1 0 30.14 30.39 276.24428 2 0 2 51.81 52.78 120.00000 0 2 2 4.62 4.72 60.00000 2 1 1 52.59 51.03 358.28546 1 2 1 51.24 49.84 244.54133 1 0 3 2.74 2.49 179.99995 0 1 3 4.95 4.49 180.00002 0 3 0 24.39 24.95 0.00000 0 3 1 2.79 2.79 300.00001 3 0 1 14.43 14.50 240.00000 1 1 3 52.13 53.24 126.60893 2 1 2 75.77 75.26 236.14925 1 2 2 86.26 85.58 6.56029 2 0 3 1.34 1.28 0.00002 0 2 3 9.98 9.57 359.99999 2 2 0 16.63 17.41 276.43816 0 3 2 18.93 19.84 240.00000 3 0 2 6.10 6.37 299.99999 2 2 1 19.92 20.62 145.00611 3 1 0 57.12 57.10 106.27466 1 0 4 33.87 34.70 240.00000 0 1 4 3.27 3.35 119.99999 1 3 1 12.56 12.94 247.13940 3 1 1 7.41 7.59 131.03645 2 1 3 12.92 13.59 235.36576 1 2 3 7.79 8.20 266.48045 2 2 2 42.51 43.32 132.03027 1 1 4 15.91 15.82 28.54176 0 3 3 2.20 2.28 359.99997 3 0 3 5.27 5.46 0.00000 0 4 0 6.36 6.61 180.00000 3 1 2 17.50 17.80 251.39795 1 3 2 22.98 23.38 131.91777 2 0 4 5.18 5.00 59.99998 0 2 4 44.35 42.88 120.00000 4 0 1 5.39 5.23 240.00001 0 4 1 21.63 21.12 120.00000 2 2 3 10.77 11.17 256.75897 3 2 0 35.85 36.87 2.08372 4 0 2 49.48 48.28 120.00000 0 4 2 6.58 6.42 240.00000 2 1 4 62.90 62.07 3.81321 1 2 4 39.15 38.62 248.58618 3 2 1 2.16 2.25 140.01669 2 3 1 23.11 24.07 14.67773 3 1 3 17.71 18.63 116.93885 1 3 3 23.61 24.91 119.55698 0 1 5 26.15 26.24 239.99999 1 0 5 1.99 2.00 120.00004 4 1 0 7.31 6.62 164.89171 0 3 4 2.22 2.22 300.00001 3 0 4 28.64 28.64 240.00000 1 4 1 2.58 2.55 351.64337 4 1 1 37.18 36.90 357.81521 3 2 2 49.85 47.48 11.26607 2 3 2 11.75 11.20 149.21541 1 1 5 4.38 4.19 40.84972 4 0 3 3.93 3.94 179.99996 0 4 3 4.46 4.48 180.00001 0 2 5 0.96 0.97 60.00005 2 0 5 9.64 9.71 120.00000 1 4 2 82.77 82.11 356.63617 4 1 2 8.23 8.15 30.01117 2 2 4 43.59 42.21 133.09948 0 5 0 47.61 47.04 0.00000 3 1 4 14.14 13.61 135.41415 1 3 4 20.45 19.75 238.57532 0 5 1 0.69 0.52 119.99999 5 0 1 0.17 0.13 240.00006 3 2 3 6.97 6.93 359.90088 2 3 3 8.17 8.09 4.21877 2 1 5 15.10 15.07 234.37783 1 2 5 15.18 15.16 6.67856 3 3 0 6.19 6.44 68.79307 3 3 1 17.74 17.49 237.87230 0 0 6 17.21 16.22 360.00000 1 4 3 6.75 6.39 171.96445 4 1 3 3.19 3.03 169.79754 4 2 0 64.75 61.55 236.93221 0 5 2 0.33 0.32 60.00000 5 0 2 2.91 2.81 120.00000 0 3 5 4.94 4.75 239.99998 3 0 5 2.69 2.58 299.99993 4 0 4 6.56 6.28 240.00000 0 4 4 40.49 39.16 120.00000 4 2 1 5.65 5.37 215.17489 2 4 1 3.06 2.91 85.05495 0 1 6 0.90 0.81 180.00002 1 0 6 0.30 0.27 179.99987 3 3 2 37.42 37.23 232.31234 1 1 6 50.54 47.98 115.97879 5 1 0 2.50 2.39 239.15060 4 2 2 13.67 13.05 85.33042 2 4 2 11.32 10.81 220.20105 2 2 5 8.12 7.95 128.05512 3 2 4 7.00 6.90 142.93907 2 3 4 42.90 42.21 12.54512 1 5 1 22.26 23.17 253.93889 5 1 1 0.76 0.79 178.35552 2 0 6 7.29 7.16 0.00001 0 2 6 16.91 16.62 360.00000 0 5 3 11.40 11.44 359.99999 5 0 3 14.85 14.91 359.99999 3 1 5 4.83 4.81 268.61247 1 3 5 5.91 5.88 142.49507 1 4 4 3.69 3.57 8.25295 4 1 4 59.33 57.56 6.34871 3 3 3 4.12 3.98 83.92505 1 5 2 1.77 1.74 122.59804 5 1 2 51.16 50.25 244.02844 1 2 6 12.20 11.77 284.38825 2 1 6 12.88 12.43 260.62582 4 2 3 28.76 28.74 225.01655 2 4 3 20.14 20.11 238.92035 4 0 5 9.27 9.52 119.99999 0 4 5 1.60 1.64 239.99997 0 6 0 0.05 0.05 180.00000 0 6 1 0.02 0.02 119.99948 6 0 1 13.59 13.61 240.00000 0 3 6 10.55 10.48 359.99999 3 0 6 15.98 15.88 0.00000 4 3 0 15.73 15.58 111.57911 5 0 4 0.06 0.06 59.99990 0 5 4 1.02 0.97 119.99999 4 3 1 6.56 6.98 339.30597 3 4 1 7.68 8.17 122.74620 5 1 3 1.50 1.56 207.39818 1 5 3 1.31 1.36 231.21841 3 2 5 12.23 12.41 357.98936 2 3 5 3.54 3.59 168.47521 0 1 7 0.34 0.34 119.99990 1 0 7 7.74 7.67 239.99999 5 2 0 12.04 11.94 347.70025 0 6 2 29.70 29.78 240.00000 6 0 2 0.60 0.60 120.00001 3 3 4 21.51 21.71 235.22784 5 2 1 14.35 15.02 112.96249 2 5 1 1.52 1.59 77.71527 2 2 6 14.68 14.83 259.28566 3 4 2 11.67 11.45 348.93091 4 3 2 27.66 27.12 119.63011 4 1 5 3.03 2.97 24.69294 1 4 5 22.26 21.82 348.51090 2 4 4 5.47 5.39 93.23320 4 2 4 8.99 8.86 219.89342 1 3 6 33.80 33.41 119.27257 3 1 6 27.81 27.49 117.64080 1 1 7 3.49 3.52 11.84921 2 0 7 1.22 1.17 59.99986 0 2 7 9.13 8.80 119.99998 5 2 2 5.90 5.84 95.27944 2 5 2 42.07 41.69 111.36602 0 6 3 0.05 0.05 180.00011 6 0 3 0.37 0.36 179.99992 6 1 0 45.08 43.38 120.03004 5 1 4 1.22 1.24 114.01672 1 5 4 40.18 40.63 239.54035 6 1 1 0.94 0.94 42.47902 1 6 1 2.47 2.47 14.51652 4 0 6 1.30 1.31 179.99995 0 4 6 1.38 1.39 180.00001 4 3 3 5.32 5.53 117.20162 3 4 3 6.92 7.20 122.78519 0 5 5 0.15 0.16 60.00008 5 0 5 0.35 0.39 120.00008 1 2 7 6.66 6.50 257.57412 2 1 7 11.39 11.10 2.73628 5 2 3 2.63 2.56 346.36423 2 5 3 4.20 4.08 346.11862 1 6 2 3.73 3.67 38.97637 6 1 2 4.32 4.24 20.17458 3 3 5 12.49 12.41 236.03215 2 3 6 16.89 16.00 3.62914 3 2 6 15.36 14.56 1.25330 3 0 7 8.35 7.95 240.00000 0 3 7 0.63 0.60 300.00007 2 4 5 3.98 3.98 233.52037 4 2 5 3.49 3.50 77.13675 4 4 0 10.45 9.83 248.71984