#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/85/1008528.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_1008528 loop_ _publ_author_name 'Molinier, M' 'Massa, W' 'Khairoun, S' 'Tressaud, A' 'Soubeyroux, J L' _publ_section_title 'Crystal and magnetic structures of NaMnF~4~' _journal_coden_ASTM ZNBSEN _journal_issue 12 _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 1669 _journal_page_last 1673 _journal_volume 46 _journal_year 1991 _chemical_formula_structural 'Na (Mn F4)' _chemical_formula_sum 'F4 Mn Na' _chemical_name_systematic 'Sodium tetrafluoromanganate(III)' _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 108.62(1) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.755(2) _cell_length_b 4.892(1) _cell_length_c 5.760(2) _cell_volume 153.7 _cod_database_code 1008528 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Na1 Na1+ 2 d 0.5 0.5 0. 1. 0 d Mn1 Mn3+ 2 a 0. 0.5 0.5 1. 0 d F1 F1- 4 e 0.878(1) 0.767(1) 0.660(1) 1. 0 d F2 F1- 4 e 0.304(1) 0.651(1) 0.615(1) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 Mn3+ 3.000 F1- -1.000