data_global _amcsd_formula_title 'KAlF4' loop_ _publ_author_name 'Launay J' 'Bulou A' 'Hewat A' 'Gibaud A' 'Laval J' 'Nouet J' _journal_name_full 'Journal de Physique' _journal_volume 46 _journal_year 1985 _journal_page_first 771 _journal_page_last 782 _publ_section_title ; Shear transformation in the layered compound KAlF4: low temperature phase structure and transformation mechanism _cod_database_code 1000207 ; _database_code_amcsd 0012760 _chemical_formula_sum 'Al K F4' _cell_length_a 5.0449 _cell_length_b 5.0449 _cell_length_c 6.1592 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 156.758 _exptl_crystal_density_diffrn 3.010 _symmetry_space_group_name_H-M 'P 4/m b m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' 'y,-x,-z' '-y,x,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '1/2-y,1/2-x,-z' '-y,x,-z' 'y,-x,z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al1 0.00000 0.00000 0.00000 K1 0.50000 0.00000 0.50000 F1 0.28260 0.21740 0.00000 F2 0.00000 0.00000 0.28280