#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:20:23 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164660 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536793.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_1536793 loop_ _publ_author_name 'Radaev, S.F.' 'Sobolev, B.P.' 'Muradyan, L.A.' 'Krivandina, E.A.' 'Bydanov, N.N.' 'Simonov, V.I.' 'Maksimov, B.A.' 'Sarin, V.A.' _publ_section_title ; Neutron diffraction study of a non-stoichiometric phase of La0.85Sr0.15F2.85 ; _journal_name_full Kristallografiya _journal_page_first 369 _journal_page_last 376 _journal_volume 36 _journal_year 1991 _chemical_formula_sum 'F2.85 La0.85 Sr0.15' _chemical_name_systematic 'La0.85 Sr0.15 F2.85' _space_group_IT_number 165 _symmetry_space_group_name_Hall '-P 3 2"c' _symmetry_space_group_name_H-M 'P -3 c 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 7.188 _cell_length_b 7.188 _cell_length_c 7.369 _cell_volume 329.728 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Radaev_KRISAJ_1991_1124.cif _cod_data_source_block F2.85La0.85Sr0.15 _cod_original_cell_volume 329.7276 _cod_database_code 1536793 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z+1/2 -x,-x+y,-z+1/2 x-y,-y,-z+1/2 -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z-1/2 x,x-y,z-1/2 -x+y,y,z-1/2 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 La1 La+3 0.6678 0 0.25 0.85 0.0 F3 F-1 0.3333 0.6667 0.287 0.24 0.0 Sr1 Sr+2 0.6678 0 0.25 0.15 0.0 F2 F-1 0.3333 0.6667 0.1909 0.76 0.0 F4 F-1 0 0 0.25 1 0.0 F1 F-1 0.3515 0.0377 0.0807 0.925 0.0