data_global
_amcsd_formula_title 'Fe4O5'
loop_
_publ_author_name
'Guignard J'
'Crichton W A'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 78 
_journal_year 2014
_journal_page_first 361
_journal_page_last 371
_publ_section_title
;
 Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self-
 similar series of structures for the lower mantle and transition zone
;
_database_code_amcsd 0020436
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe4 O5'
_cell_length_a 2.8964
_cell_length_b 9.8225
_cell_length_c 12.5808
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 357.922
_exptl_crystal_density_diffrn      5.630
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+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_U_iso_or_equiv
Fe1   0.00000   0.00000   0.00000   0.01700
Fe2   0.00000   0.26570   0.11600   0.02400
Fe3   0.00000   0.50750   0.25000   0.03000
O1   0.00000   0.17640   0.25000  -0.02400
O2   0.00000   0.35400   0.53740   0.00300
O3   0.00000   0.08940   0.64230  -0.01400