data_9002332
_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
;
_journal_name_full               'American Mineralogist'
_journal_page_first              514
_journal_page_last               523
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite-h
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.273
_cell_length_b                   9.239
_cell_length_c                   2.746
_cell_volume                     235.259
_exptl_crystal_density_diffrn    6.537
_cod_database_code               9002332
loop_
_symmetry_equiv_pos_as_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
