The crystal structure described by La4CoO8 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and one Co(1) atom to form distorted OLa4Co square pyramids that share corners with six equivalent O(2)La5Co octahedra,  a cornercorner with one O(1)La4Co square pyramid, edges with four equivalent O(1)La4Co square pyramids, faces with two equivalent O(2)La5Co octahedra, and faces with two equivalent O(1)La4Co square pyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second O site, O(2) is bonded to two equivalent La(2), three equivalent La(1), and one Co(1) atom to form distorted OLa5Co octahedra that share corners with five equivalent O(2)La5Co octahedra, corners with twelve equivalent O(1)La4Co square pyramids, edges with two equivalent O(2)La5Co octahedra, and faces with four equivalent O(1)La4Co square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent La(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   5.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.879
_symmetry_Int_Tables_number   1
_cell_volume   181.489
_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
  La  La0  1  0.634  0.366  0.500  1.0
  La  La1  1  0.865  0.135  0.000  1.0
  La  La2  1  0.135  0.865  0.000  1.0
  La  La3  1  0.366  0.634  0.500  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.248  0.248  0.738  1.0
  O  O6  1  0.752  0.752  0.738  1.0
  O  O7  1  0.838  0.162  0.500  1.0
  O  O8  1  0.162  0.838  0.500  1.0
  O  O9  1  0.752  0.752  0.262  1.0
  O  O10  1  0.312  0.688  0.000  1.0
  O  O11  1  0.688  0.312  0.000  1.0
  O  O12  1  0.248  0.248  0.262  1.0
[/CIF]
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The crystal structure described by La4CoO8 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and one Co(1) atom to form distorted OLa4Co square pyramids that share corners with six equivalent O(2)La5Co octahedra,  a cornercorner with one O(1)La4Co square pyramid, edges with four equivalent O(1)La4Co square pyramids, faces with two equivalent O(2)La5Co octahedra, and faces with two equivalent O(1)La4Co square pyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second O site, O(2) is bonded to two equivalent La(2), three equivalent La(1), and one Co(1) atom to form distorted OLa5Co octahedra that share corners with five equivalent O(2)La5Co octahedra, corners with twelve equivalent O(1)La4Co square pyramids, edges with two equivalent O(2)La5Co octahedra, and faces with four equivalent O(1)La4Co square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent La(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   5.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.879
_symmetry_Int_Tables_number   1
_cell_volume   181.489
_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
  La  La0  1  0.634  0.366  0.500  1.0
  La  La1  1  0.865  0.135  0.000  1.0
  La  La2  1  0.135  0.865  0.000  1.0
  La  La3  1  0.366  0.634  0.500  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.248  0.248  0.738  1.0
  O  O6  1  0.752  0.752  0.738  1.0
  O  O7  1  0.838  0.162  0.500  1.0
  O  O8  1  0.162  0.838  0.500  1.0
  O  O9  1  0.752  0.752  0.262  1.0
  O  O10  1  0.312  0.688  0.000  1.0
  O  O11  1  0.688  0.312  0.000  1.0
  O  O12  1  0.248  0.248  0.262  1.0
[/CIF]
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