#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530291.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_1530291 loop_ _publ_author_name 'le Page, Y.' 'Donnay, G.' _publ_section_title ; The crystal structure of the new mineral maricite Na Fe P O4 ; _journal_name_full 'Canadian Mineralogist' _journal_page_first 518 _journal_page_last 521 _journal_volume 15 _journal_year 1977 _chemical_formula_sum 'Fe0.9 Mn0.1 Na O4 P' _chemical_name_systematic 'Na (Fe0.9 Mn0.1) (P O4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2bc 2a' _symmetry_space_group_name_H-M 'P m n b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.861 _cell_length_b 8.987 _cell_length_c 5.045 _cell_volume 311.074 _citation_journal_id_ASTM CAMIA6 _cod_data_source_file lePage_CAMIA6_1977_193.cif _cod_data_source_block Fe0.9Mn0.1Na1O4P1 _cod_original_cell_volume 311.0738 _cod_original_sg_symbol_Hall '-P 2ac 2n (y,-x,z)' _cod_chemical_formula_sum_orig 'Fe0.9 Mn0.1 Na1 O4 P1' _cod_database_code 1530291 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 x+1/2,-y,-z -x,-y,-z x,y-1/2,-z-1/2 x-1/2,-y-1/2,z-1/2 -x-1/2,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 Na1 Na+1 0.25 0.8508 0.5305 1 0.0 Mn1 Mn+2 0 0 0 0.1 0.0 Fe1 Fe+2 0 0 0 0.9 0.0 O3 O-2 0.0692 0.1213 0.3174 1 0.0 O1 O-2 0.25 0.1164 0.7521 1 0.0 P1 P+5 0.25 0.176 0.464 1 0.0 O2 O-2 0.25 0.3492 0.4557 1 0.0