#------------------------------------------------------------------------------ #$Date: 2013-04-29 20:51:45 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82249 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509335.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_1509335 loop_ _publ_author_name 'Durio, C.' 'Pico, C.' 'Chouaibi, N.' 'Daidouh, A.' 'Ouassini, A.' 'Veiga, M.L.' _publ_section_title ; Structural and electrical study of the alluaudites (Ag1-x Nax)2 Fe Mn2 (P O4)3 (x = 0, 0.5 and 1) ; _journal_name_full 'Solid State Sciences' _journal_page_first 541 _journal_page_last 548 _journal_volume 4 _journal_year 2002 _chemical_formula_sum 'Ag Fe Mn2 Na O12 P3' _chemical_name_systematic 'Ag Na (Fe Mn2 (P O4)3)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 114.535 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.085 _cell_length_b 12.684 _cell_length_c 6.498 _cell_volume 906.117 _citation_journal_id_ASTM SSSCFJ _[local]_cod_data_source_file silver1-2_255.cif _[local]_cod_data_source_block Ag1Fe1Mn2Na1O12P3 _[local]_cod_chemical_formula_sum_orig 'Ag1 Fe1 Mn2 Na1 O12 P3' _cod_original_cell_volume 906.1175 _cod_database_code 1509335 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,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 P2 P+5 0.233 0.893 0.127 1 0.0 O4 O-2 0.134 0.408 0.325 1 0.0 Mn2 Mn+2 0.277 0.657 0.361 0.5 0.0 Fe1 Fe+3 0.277 0.657 0.361 0.5 0.0 Mn1 Mn+2 0 0.27 0.25 1 0.0 O1 O-2 0.46 0.712 0.537 1 0.0 Na1 Na+1 0 0.5 0 1 0.0 O2 O-2 0.102 0.641 0.237 1 0.0 Ag1 Ag+1 0 -0.014 0.25 1 0.0 O3 O-2 0.334 0.66 0.1 1 0.0 O5 O-2 0.224 0.823 0.316 1 0.0 P1 P+5 0 0.716 0.25 1 0.0 O6 O-2 0.319 0.496 0.372 1 0.0