#------------------------------------------------------------------------------ #$Date: 2015-07-13 08:05:30 +0300 (Mon, 13 Jul 2015) $ #$Revision: 150267 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/82/1528269.cif $ #------------------------------------------------------------------------------ # # 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_1528269 loop_ _publ_author_name 'van Laar, B.' 'Ijdo, D.J.W.' _publ_section_title ; Preparation, crystal structure, and magnetic structure of Li Cr S2 and Li V S2 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 590 _journal_page_last 595 _journal_volume 3 _journal_year 1971 _chemical_formula_sum 'Li S2 V' _chemical_name_systematic 'Li V S2' _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 3.3803 _cell_length_b 3.3803 _cell_length_c 6.1381 _cell_volume 60.740 _citation_journal_id_ASTM JSSCBI _cod_data_source_file vanLaar_JSSCBI_1971_1979.cif _cod_data_source_block Li1S2V1 _cod_original_cell_volume 60.74004 _cod_chemical_formula_sum_orig 'Li1 S2 V1' _cod_database_code 1528269 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,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 S1 S-2 0.3333 0.6667 0.235 1 0.0 Li1 Li+1 0 0 0.5 1 0.0 V1 V+3 0 0 0 1 0.0