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 1000208 ; _database_code_amcsd 0012761 _chemical_formula_sum 'Al K F4' _cell_length_a 7.3403 _cell_length_b 7.2370 _cell_length_c 6.4070 _cell_angle_alpha 90 _cell_angle_beta 106.801 _cell_angle_gamma 90 _cell_volume 325.823 _exptl_crystal_density_diffrn 2.896 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 Al2 0.50000 0.00000 0.00000 K1 0.13100 0.25000 0.54100 K2 0.63300 0.25000 0.54400 F1 0.25810 -0.02050 0.00770 F2 0.02900 0.25000 0.05100 F3 0.48740 0.25000 0.04400 F4 0.07120 -0.03700 0.28360 F5 0.57380 -0.03610 0.28400