data_global
_amcsd_formula_title 'CaFe4O6'
loop_
_publ_author_name
'Evrard O'
'Malaman B'
'Jeannot F'
'Courtois A'
'Alebouyeh H'
'Gerardin R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 35 
_journal_year 1980
_journal_page_first 112
_journal_page_last 119
_publ_section_title
;
 Mise en evidence de CaFe4O6 et determination des structures cristalline des
 ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
;
_database_code_amcsd 0013403
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Fe4 O6'
_cell_length_a 3.050
_cell_length_b 9.986
_cell_length_c 15.321
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 466.636
_exptl_crystal_density_diffrn      5.117
_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
Ca   0.00000   0.65280   0.25000   0.00963
Fe2+   0.00000   0.13520   0.45540   0.00494
Fe3+   0.00000   0.40280   0.36290   0.00507
O1   0.00000   0.32110   0.25000   0.00811
O2   0.00000   0.77840   0.42200   0.01330
O3   0.00000   0.04120   0.34510   0.00963
O4   0.00000   0.50000   0.00000   0.01393