The material described by CaFe2O4 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Ca(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.409
_cell_length_b   5.409
_cell_length_c   3.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.623
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.737  0.737  0.000  1.0
  O  O4  1  0.737  0.263  0.000  1.0
  O  O5  1  0.263  0.737  0.000  1.0
  O  O6  1  0.263  0.263  0.000  1.0
[/CIF]
.
The material described by CaFe2O4 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Ca(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.409
_cell_length_b   5.409
_cell_length_c   3.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.623
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.737  0.737  0.000  1.0
  O  O4  1  0.737  0.263  0.000  1.0
  O  O5  1  0.263  0.737  0.000  1.0
  O  O6  1  0.263  0.263  0.000  1.0
[/CIF]
.