data_global _amcsd_formula_title 'FeS' loop_ _publ_author_name 'King H E' 'Prewitt C T' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 1877 _journal_page_last 1887 _publ_section_title ; High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported ; _database_code_amcsd 0009773 _chemical_formula_sum 'Fe S' _cell_length_a 5.716 _cell_length_b 3.347 _cell_length_c 5.797 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 110.905 _exptl_crystal_density_diffrn 5.265 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe 0.00800 0.25000 0.20600 0.01381 S 0.22200 0.25000 0.57700 0.00963