The crystal structure described by La2Co2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form distorted OLa4Co2 octahedra that share corners with two equivalent O(1)La4Co2 octahedra, corners with four equivalent O(3)La2Co2 tetrahedra, edges with two equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(1)La4Co2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form OLa2Co2 tetrahedra that share corners with eight equivalent O(1)La4Co2 octahedra and corners with two equivalent O(3)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 21-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.849
_cell_length_b   8.849
_cell_length_c   8.849
_cell_angle_alpha   143.929
_cell_angle_beta   141.651
_cell_angle_gamma   53.663
_symmetry_Int_Tables_number   1
_cell_volume   251.500
_cell_formula_units_Z   2
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  0.867  0.389  0.477  1.0
  La  La1  1  0.133  0.610  0.522  1.0
  La  La2  1  0.412  0.889  0.522  1.0
  La  La3  1  0.588  0.110  0.477  1.0
  Co  Co4  1  0.000  0.990  0.990  1.0
  Co  Co5  1  0.500  0.490  0.990  1.0
  Co  Co6  1  0.812  0.785  0.097  1.0
  Co  Co7  1  0.188  0.285  0.973  1.0
  O  O8  1  0.762  0.762  0.490  1.0
  O  O9  1  0.238  0.727  1.000  1.0
  O  O10  1  0.772  0.262  1.000  1.0
  O  O11  1  0.228  0.227  0.490  1.0
  O  O12  1  0.776  0.816  0.875  1.0
  O  O13  1  0.224  0.099  0.041  1.0
  O  O14  1  0.441  0.316  0.041  1.0
  O  O15  1  0.559  0.599  0.875  1.0
  O  O16  1  0.862  0.157  0.520  1.0
  O  O17  1  0.138  0.657  0.295  1.0
[/CIF]
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The crystal structure described by La2Co2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form distorted OLa4Co2 octahedra that share corners with two equivalent O(1)La4Co2 octahedra, corners with four equivalent O(3)La2Co2 tetrahedra, edges with two equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(1)La4Co2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form OLa2Co2 tetrahedra that share corners with eight equivalent O(1)La4Co2 octahedra and corners with two equivalent O(3)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 21-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.849
_cell_length_b   8.849
_cell_length_c   8.849
_cell_angle_alpha   143.929
_cell_angle_beta   141.651
_cell_angle_gamma   53.663
_symmetry_Int_Tables_number   1
_cell_volume   251.500
_cell_formula_units_Z   2
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  0.867  0.389  0.477  1.0
  La  La1  1  0.133  0.610  0.522  1.0
  La  La2  1  0.412  0.889  0.522  1.0
  La  La3  1  0.588  0.110  0.477  1.0
  Co  Co4  1  0.000  0.990  0.990  1.0
  Co  Co5  1  0.500  0.490  0.990  1.0
  Co  Co6  1  0.812  0.785  0.097  1.0
  Co  Co7  1  0.188  0.285  0.973  1.0
  O  O8  1  0.762  0.762  0.490  1.0
  O  O9  1  0.238  0.727  1.000  1.0
  O  O10  1  0.772  0.262  1.000  1.0
  O  O11  1  0.228  0.227  0.490  1.0
  O  O12  1  0.776  0.816  0.875  1.0
  O  O13  1  0.224  0.099  0.041  1.0
  O  O14  1  0.441  0.316  0.041  1.0
  O  O15  1  0.559  0.599  0.875  1.0
  O  O16  1  0.862  0.157  0.520  1.0
  O  O17  1  0.138  0.657  0.295  1.0
[/CIF]
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