#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/56/1535641.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_1535641 loop_ _publ_author_name 'Huang, F.Q.' 'Deng, B.' 'Ibers, J.A.' _publ_section_title ; Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 194 _journal_page_last 199 _journal_volume 178 _journal_year 2005 _chemical_formula_sum 'Cs2 Li Nb S4' _chemical_name_systematic 'Cs2 Li Nb S4' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.65 _cell_angle_beta 92.239 _cell_angle_gamma 91.279 _cell_formula_units_Z 2 _cell_length_a 6.9186 _cell_length_b 7.2518 _cell_length_c 9.7609 _cell_volume 485.883 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Huang_JSSCBI_2005_1686.cif _cod_data_source_block Cs2Li1Nb1S4 _cod_original_cell_volume 485.8828 _cod_original_formula_sum 'Cs2 Li1 Nb1 S4' _cod_database_code 1535641 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-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 Cs1 Cs+1 0.12754 0.19975 0.65698 1 0.0 S4 S-2 0.3962 0.55635 0.32244 1 0.0 Nb1 Nb+5 0.21664 0.29151 0.24869 1 0.0 S2 S-2 0.19719 0.25163 0.01567 1 0.0 S1 S-2 0.08518 0.69982 0.66776 1 0.0 Li1 Li+1 0.5985 0.3198 0.431 1 0.0 S3 S-2 0.37922 0.05706 0.33012 1 0.0 Cs2 Cs+1 0.3032 0.75398 0.00533 1 0.0