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 20436
_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 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 357.922
_exptl_crystal_density_diffrn  5.63
_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   0.0  0.0  0.0  0.017
Fe2   0.0  0.2657  0.116  0.024
Fe3   0.0  0.5075  0.25  0.03
O1   0.0  0.1764  0.25  -0.024
O2   0.0  0.354  0.5374  0.003
O3   0.0  0.0894  0.6423  -0.014