data_global
_amcsd_formula_title 'Fe3O4'
loop_
_publ_author_name
'Fei Y'
'Frost D J'
'Mao H K'
'Prewitt C T'
'Hausermann D'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 203
_journal_page_last 206
_publ_section_title
;
 In situ structure determination of the high-pressure phase of Fe3O4
 Sample data recorded at P = 23.96 GPa, T = = 823 K
;
_database_code_amcsd 0002088
_chemical_formula_sum 'Fe3 O4'
_cell_length_a 2.7992
_cell_length_b 9.4097
_cell_length_c 9.4832
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 249.784
_exptl_crystal_density_diffrn      6.157
_symmetry_space_group_name_H-M 'P b c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe2+   0.72400   0.37570   0.25000
Fe3+   0.24600   0.11070   0.08790
O1   0.50600   0.25000   0.00000
O2   0.18000   0.24470   0.25000
O3   0.29600   0.48990   0.09800