#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/70/2017057.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_2017057_Fobs loop_ _publ_author_name 'Zhang, Dong' 'Johnsson, Mats' _publ_section_title ; Nickel vanadium tellurium oxide, NiV~2~Te~2~O~10~ ; _journal_coeditor_code LG3009 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i9 _journal_page_last i10 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 84.651 _cell_angle_beta 69.490 _cell_angle_gamma 72.011 _cell_length_a 4.7961 _cell_length_b 6.3747 _cell_length_c 6.5643 _exptl_crystal_F_000 258.00 _reflns_d_resolution_high 0.8003 _[local]_cod_data_source_file lg3009Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' p-1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 141.50 _shelx_F_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 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 1 0 0 874.05 866.38 13.54 o 2 0 0 4299.55 4264.32 90.33 o 3 0 0 8499.07 8370.31 219.97 o 4 0 0 958.01 1065.44 81.15 o 5 0 0 452.77 462.02 24.40 o -5 1 0 3359.56 3472.38 114.29 o -4 1 0 584.50 586.69 26.30 o -3 1 0 147.41 152.14 5.85 o -2 1 0 6894.55 7086.24 105.13 o -1 1 0 2597.92 2937.64 40.21 o 1 1 0 9.52 23.32 5.20 o 2 1 0 9330.08 9139.78 260.77 o 3 1 0 884.35 843.19 13.93 o 4 1 0 1853.64 1821.69 55.06 o 5 1 0 679.59 644.18 68.63 o -4 2 0 5.45 14.14 3.69 o -3 2 0 3633.46 3494.25 32.52 o -2 2 0 838.28 794.10 14.43 o -1 2 0 1173.22 1156.67 22.95 o 0 2 0 3711.23 4031.71 55.53 o 1 2 0 9698.08 10371.88 118.36 o 2 2 0 1012.27 864.64 24.26 o 3 2 0 13.79 15.98 2.20 o 4 2 0 3640.72 3240.74 116.69 o 5 2 0 24.36 28.78 36.82 o -4 3 0 2493.51 2521.17 20.35 o -3 3 0 1152.82 1162.54 20.97 o -2 3 0 55.47 63.06 2.73 o -1 3 0 6643.39 6299.50 314.55 o 0 3 0 409.81 451.17 5.96 o 1 3 0 8.73 12.48 1.11 o 2 3 0 42.23 48.88 2.15 o 3 3 0 4299.39 4055.74 91.94 o 4 3 0 82.83 83.36 4.23 o 5 3 0 1395.98 1406.97 37.23 o -3 4 0 11.27 15.11 2.58 o -2 4 0 7949.43 8000.70 111.51 o -1 4 0 220.30 230.96 7.16 o 0 4 0 3576.27 3731.48 62.44 o 1 4 0 14723.21 14934.25 355.42 o 2 4 0 964.57 975.29 13.43 o 3 4 0 3505.86 3479.78 27.41 o 4 4 0 1097.52 1047.60 43.64 o 5 4 0 1416.78 1283.13 137.46 o -3 5 0 62.59 70.41 5.22 o -2 5 0 853.17 883.96 14.17 o -1 5 0 1257.14 1292.37 17.56 o 0 5 0 3184.48 3340.44 47.17 o 1 5 0 31.00 34.80 2.56 o 2 5 0 502.31 524.77 8.37 o 3 5 0 1629.59 1636.32 20.52 o 4 5 0 1449.31 1484.86 23.45 o 5 5 0 737.39 737.57 34.16 o -2 6 0 1086.46 1098.49 16.13 o -1 6 0 1719.43 1704.50 14.86 o 0 6 0 1120.22 1119.86 18.70 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