data_global _amcsd_formula_title 'SrFCl' loop_ _publ_author_name 'Sauvage M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 30 _journal_year 1974 _journal_page_first 2786 _journal_page_last 2787 _publ_section_title ; Refinement of the structures of SrFCl and BaFCl Note: matlockite structure ; _database_code_amcsd 0009522 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sr F Cl' _cell_length_a 4.1259 _cell_length_b 4.1259 _cell_length_c 6.9579 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 118.445 _exptl_crystal_density_diffrn 3.984 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,z' '1/2+x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sr 0.25000 0.25000 0.20150 F 0.75000 0.25000 0.00000 Cl 0.25000 0.25000 0.64290 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sr 0.00850 0.00850 0.00980 0.00000 0.00000 0.00000 F 0.00860 0.00860 0.01080 0.00000 0.00000 0.00000 Cl 0.01200 0.01200 0.00390 0.00000 0.00000 0.00000