data_global
_chemical_name_mineral 'Wustite'
loop_
_publ_author_name
'Fjellvag H'
'Gronvold F'
'Stolen S'
'Hauback B C'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 124 
_journal_year 1996
_journal_page_first 52
_journal_page_last 57
_publ_section_title
;
 On the crystallographic and magnetic structures of
 nearly stoichiometric iron monoxide
 Note: low-temperature polymorph
 Sample: Single-Phase Fe0.925O, T = 12 K
;
_database_code_amcsd 0013898
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe.925 O'
_cell_length_a 6.073
_cell_length_b 6.073
_cell_length_c 6.073
_cell_angle_alpha 59.92
_cell_angle_beta 59.92
_cell_angle_gamma 59.92
_cell_volume 158.091
_exptl_crystal_density_diffrn      5.685
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.00000   0.00000   0.00000   0.87000
Fe2   0.50000   0.50000   0.50000   0.87000
Fe3   0.50000   0.00000   0.00000   0.87000
Fe4   0.00000   0.50000   0.50000   0.87000
Fe5   0.12500   0.12500   0.12500   0.02750
Fe6   0.62500   0.62500   0.62500   0.02750
Fe7   0.12500   0.62500   0.62500   0.02750
Fe8   0.62500   0.12500   0.12500   0.02750
O1   0.25000   0.25000   0.25000   1.00000
O2   0.25000   0.25000   0.75000   1.00000