The structure described by LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_LaCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   5.463
_cell_length_c   5.493
_cell_angle_alpha   61.607
_cell_angle_beta   61.034
_cell_angle_gamma   61.088
_symmetry_Int_Tables_number   1
_cell_volume   118.939
_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
  Co  Co0  1  0.001  0.502  0.500  1.0
  Co  Co1  1  0.500  0.999  0.999  1.0
  La  La2  1  0.250  0.749  0.749  1.0
  La  La3  1  0.750  0.253  0.249  1.0
  O  O4  1  0.303  0.260  0.676  1.0
  O  O5  1  0.697  0.735  0.324  1.0
  O  O6  1  0.182  0.820  0.254  1.0
  O  O7  1  0.812  0.185  0.746  1.0
  O  O8  1  0.749  0.681  0.820  1.0
  O  O9  1  0.255  0.316  0.182  1.0
[/CIF]
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The structure described by LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_LaCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   5.463
_cell_length_c   5.493
_cell_angle_alpha   61.607
_cell_angle_beta   61.034
_cell_angle_gamma   61.088
_symmetry_Int_Tables_number   1
_cell_volume   118.939
_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
  Co  Co0  1  0.001  0.502  0.500  1.0
  Co  Co1  1  0.500  0.999  0.999  1.0
  La  La2  1  0.250  0.749  0.749  1.0
  La  La3  1  0.750  0.253  0.249  1.0
  O  O4  1  0.303  0.260  0.676  1.0
  O  O5  1  0.697  0.735  0.324  1.0
  O  O6  1  0.182  0.820  0.254  1.0
  O  O7  1  0.812  0.185  0.746  1.0
  O  O8  1  0.749  0.681  0.820  1.0
  O  O9  1  0.255  0.316  0.182  1.0
[/CIF]
.