#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:27:03 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181047 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/27/2212780.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_2212780_Fobs loop_ _publ_author_name 'Dong, Yongkwan' 'DiSalvo, Francis J.' _publ_section_title ; Reinvestigation of trilithium phosphide, Li~3~P ; _journal_coeditor_code BR2030 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i97 _journal_page_last i98 _journal_volume 63 _journal_year 2007 _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 4.2286 _cell_length_b 4.2286 _cell_length_c 7.5566 _exptl_crystal_F_000 48.00 _reflns_d_resolution_high 0.7676 _cod_data_source_file br2030Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' m in P6(3)/mmc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 27.91 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-y, -x, -z+1/2' '-x+y, y, -z+1/2' 'x, x-y, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z-1/2' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' 'y, x, z-1/2' 'x-y, -y, z-1/2' '-x, -x+y, z-1/2' 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 0 142.74 153.95 0.95 o -1 2 0 779.00 756.88 3.96 o 0 2 0 72.96 72.09 0.84 o -1 3 0 52.19 50.11 0.58 o 0 3 0 385.00 378.21 2.65 o -2 4 0 292.07 299.24 2.40 o -1 4 0 32.22 32.44 0.76 o 0 4 0 25.90 26.26 1.22 o -2 5 0 20.96 20.30 1.03 o -1 5 0 137.72 136.34 2.29 o 0 1 1 280.28 293.15 1.15 o 0 2 1 152.71 145.01 0.86 o -1 3 1 115.54 112.64 0.59 o 0 3 1 0.00 0.85 0.34 o -1 4 1 78.43 78.32 0.79 o 0 4 1 65.41 65.04 1.55 o -2 5 1 54.63 55.38 0.97 o -1 5 1 0.00 0.23 0.66 o 0 0 2 585.72 637.20 11.91 o 0 1 2 29.22 28.07 0.31 o -1 2 2 304.52 289.80 1.40 o 0 2 2 17.40 17.57 0.34 o -1 3 2 14.72 14.85 0.31 o 0 3 2 177.03 173.37 1.33 o -2 4 2 143.32 140.91 1.28 o -1 4 2 12.01 12.26 0.45 o 0 4 2 10.73 9.98 0.75 o -2 5 2 9.48 9.07 0.66 o -1 5 2 78.70 78.80 1.27 o 0 1 3 457.03 448.53 1.98 o 0 2 3 308.91 298.61 1.66 o -1 3 3 229.69 228.79 1.10 o 0 3 3 0.00 0.00 0.43 o -1 4 3 136.97 137.73 1.09 o 0 4 3 107.64 109.14 1.62 o -2 5 3 85.33 83.93 1.65 o 0 0 4 298.37 282.33 7.29 o 0 1 4 18.15 17.92 0.37 o -1 2 4 217.25 217.46 1.69 o 0 2 4 15.18 16.62 0.53 o -1 3 4 13.68 14.27 0.39 o 0 3 4 140.00 139.82 1.48 o -2 4 4 114.48 117.22 1.69 o -1 4 4 11.01 11.06 0.57 o 0 4 4 9.73 8.73 0.91 o -2 5 4 8.53 8.14 0.81 o 0 1 5 117.13 119.94 0.98 o 0 2 5 95.39 99.24 1.08 o -1 3 5 79.28 80.47 0.83 o 0 3 5 0.00 1.09 0.58 o -1 4 5 55.29 56.73 1.07 o 0 4 5 46.26 48.13 1.73 o 0 0 6 407.77 421.75 4.26 o 0 1 6 49.47 51.27 0.76 o -1 2 6 307.67 307.29 2.37 o 0 2 6 38.79 39.48 0.83 o -1 3 6 30.80 31.04 0.69 o 0 3 6 183.27 184.14 2.56 o -2 4 6 143.66 151.35 1.89 o -1 4 6 19.89 20.05 0.81 o 0 1 7 77.06 78.24 0.94 o 0 2 7 64.64 63.43 0.97 o -1 3 7 54.26 53.52 0.79 o 0 3 7 0.00 0.06 0.67 o 0 1 8 12.88 12.41 0.53 o -1 2 8 91.97 91.62 1.26 o 0 2 8 11.26 10.19 0.67 o -1 3 8 9.79 9.56 0.57 o 0 1 9 99.41 93.91 1.23 o