#------------------------------------------------------------------------------ #$Date: 2015-07-07 15:48:38 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140764 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106048.cif $ #------------------------------------------------------------------------------ # # 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_2106048 loop_ _publ_author_name 'Galy, J.' 'Lavaud, D.' _publ_section_title ; Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1005 _journal_page_last 1009 _journal_volume 27 _journal_year 1971 _chemical_formula_sum 'Cu1.82 O11 V4' _chemical_name_systematic 'Cu1.82 V4 O11' _space_group_IT_number 8 _symmetry_space_group_name_Hall 'C -2y' _symmetry_space_group_name_H-M 'C 1 m 1' _cell_angle_alpha 90 _cell_angle_beta 102 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 15.38 _cell_length_b 3.61 _cell_length_c 7.37 _cell_volume 400.254 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Galy_ACBCAR_1971_1858.cif _cod_data_source_block Cu1.82O11V4 _cod_original_cell_volume 400.2538 _cod_database_code 2106048 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z x+1/2,y+1/2,z x+1/2,-y+1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv V2 V 0.3367 0 0.1459 1 0.0 O1 O 0.136 0.5 0.108 1 0.0 O3 O 0.192 0 -0.068 1 0.0 O11 O 0.422 0.5 0.633 1 0.0 O2 O 0.308 0.5 0.067 1 0.0 V3 V 0.1823 0.5 -0.1421 1 0.0 O4 O 0.382 0 -0.091 1 0.0 O7 O 0.257 0 0.316 1 0.0 O6 O 0.092 0 0.354 1 0.0 Cu2 Cu 0.2574 0.5 0.4512 0.84 0.0 O8 O 0.429 0 0.294 1 0.0 O9 O 0.089 0.5 0.71 1 0.0 O5 O 0.005 0 -0.027 1 0.0 V1 V 0.1203 0 0.1507 1 0.0 V4 V 0.4029 0.5 -0.1507 1 0.0 Cu1 Cu 0.5003 0.211 0.4877 0.49 0.0 O10 O 0.26 0.5 0.709 1 0.0