#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507762.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_1507762 loop_ _publ_author_name 'Le Bail, A' 'Mercier, A M' _publ_section_title ; Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction ; _journal_name_full ; Powder Diffraction ; _journal_page_first 128 _journal_page_last 134 _journal_paper_doi 10.1154/1.1556990 _journal_volume 18 _journal_year 2003 _chemical_formula_sum 'F14 Ga3 Na5' _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.00000 _cell_angle_beta 90.6640(4) _cell_angle_gamma 90.00000 _cell_formula_units_Z 2 _cell_length_a 10.4052(1) _cell_length_b 7.2251(1) _cell_length_c 7.2689(1) _cell_measurement_temperature 293(2) _cell_volume 546.429(12) _computing_structure_refinement FULLPROF _diffrn_ambient_temperature 293(2) _cod_data_source_file Na5Ga3F14.cif _cod_data_source_block Na5Ga3F14 _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1507762 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x+1/2,-y+1/2,z+1/2 loop_ _atom_site_label _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy Na1 4e 0.2514(4) 0.2032(5) 0.2624(6) 0.0210(12) 1.0 Na2 4e 0.2598(4) 0.2676(5) 0.7763(6) 0.0222(12) 1.0 Na3 2d 0.50000 0.00000 0.00000 0.0493(18) 1.0 Ga1 2a 0.00000 0.00000 0.00000 0.0064(4) 1.0 Ga2 2b 0.00000 0.00000 0.50000 0.0085(5) 1.0 Ga3 2c 0.00000 0.50000 0.00000 0.0091(5) 1.0 F1 4e 0.9631(4) 0.2456(7) 0.9308(7) 0.0153(13) 1.0 F2 4e 0.0009(5) 0.0720(6) 0.2481(8) 0.0208(13) 1.0 F3 4e 0.1742(3) 0.0395(7) 0.9904(6) 0.0279(16) 1.0 F4 4e 0.3851(4) 0.0116(7) 0.6904(6) 0.0169(14) 1.0 F5 4e 0.1105(4) 0.8015(7) 0.4588(7) 0.0164(16) 1.0 F6 4e 0.6285(4) 0.0601(6) 0.6719(6) 0.0185(16) 1.0 F7 4e 0.3648(4) 0.6582(6) 0.9691(7) 0.0244(18) 1.0