data_global
_chemical_name_mineral 'Wustite'
loop_
_publ_author_name
'Fjellvag H'
'Hauback B C'
'Vogt T'
'Stolen S'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 347
_journal_page_last 349
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: Kjeller, T = 8 K
;
_database_code_amcsd 0002759
_chemical_formula_sum 'Fe.99 O'
_cell_length_a 5.2642
_cell_length_b 3.0327
_cell_length_c 3.0626
_cell_angle_alpha 90
_cell_angle_beta 124.646
_cell_angle_gamma 90
_cell_volume 40.224
_exptl_crystal_density_diffrn      5.886
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-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_occupancy
Fe   0.00000   0.00000   0.00000   0.99000
O   0.00000   0.50000   0.50000   1.00000