data_global
_chemical_name_mineral 'Magnetite-h'
loop_
_publ_author_name
'Haavik C'
'Stolen S'
'Fjellvag H'
'Hanfland M'
'Hausermann D'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 514
_journal_page_last 523
_publ_section_title
;
 Equation of state of magnetite and its high-pressure modification:
 Thermodynamics of the Fe-O system at high pressure
 Sample at 40 GPa, CaTi2O4 structure type
;
_database_code_amcsd 0002416
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe3 O4'
_cell_length_a 9.273
_cell_length_b 9.239
_cell_length_c 2.746
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 235.259
_exptl_crystal_density_diffrn      6.537
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.37500   0.25000   0.00000
Fe2(oct)   0.13500   0.08700   0.00000
O1   0.00500   0.25000   0.00000
O2   0.21400   0.60500   0.00000
O3   0.50000   0.00000   0.00000