data_9011800
_publ_section_title
;Synthesis and Rietveld crystal structure refinement of mackinawite,
 tetragonal FeS Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              677
_journal_page_last               683
_journal_paper_doi               10.1180/minmag.1995.059.397.10
_journal_volume                  59
_journal_year                    1995
_chemical_formula_sum            'Fe S'
_chemical_name_mineral           Mackinawite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.6735
_cell_length_b                   3.6735
_cell_length_c                   5.0328
_cell_volume                     67.916
_exptl_crystal_density_diffrn    4.299
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
_cod_database_code               9011800
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,z
y,x,-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,z
1/2+x,1/2-y,-z
1/2-x,1/2-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 0.00000 0.00000 0.00000 0.00519
S 0.00000 0.50000 0.26020 0.00253
