The compound described by La2CoO4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Co(1) atom. In the second O site, O(2) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OLa4Co2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.748
_cell_length_c   6.847
_cell_angle_alpha   90.002
_cell_angle_beta   113.624
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   197.893
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  1.000  0.000  0.000  1.0
  La  La2  1  0.862  0.482  0.724  1.0
  La  La3  1  0.138  0.518  0.276  1.0
  La  La4  1  0.638  0.982  0.276  1.0
  La  La5  1  0.362  0.018  0.724  1.0
  O  O6  1  0.682  0.573  0.364  1.0
  O  O7  1  0.318  0.427  0.636  1.0
  O  O8  1  0.818  0.073  0.636  1.0
  O  O9  1  0.182  0.927  0.364  1.0
  O  O10  1  0.269  0.250  0.039  1.0
  O  O11  1  0.231  0.750  0.961  1.0
  O  O12  1  0.769  0.250  0.039  1.0
  O  O13  1  0.731  0.750  0.961  1.0
[/CIF]
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The compound described by La2CoO4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Co(1) atom. In the second O site, O(2) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OLa4Co2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.748
_cell_length_c   6.847
_cell_angle_alpha   90.002
_cell_angle_beta   113.624
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   197.893
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  1.000  0.000  0.000  1.0
  La  La2  1  0.862  0.482  0.724  1.0
  La  La3  1  0.138  0.518  0.276  1.0
  La  La4  1  0.638  0.982  0.276  1.0
  La  La5  1  0.362  0.018  0.724  1.0
  O  O6  1  0.682  0.573  0.364  1.0
  O  O7  1  0.318  0.427  0.636  1.0
  O  O8  1  0.818  0.073  0.636  1.0
  O  O9  1  0.182  0.927  0.364  1.0
  O  O10  1  0.269  0.250  0.039  1.0
  O  O11  1  0.231  0.750  0.961  1.0
  O  O12  1  0.769  0.250  0.039  1.0
  O  O13  1  0.731  0.750  0.961  1.0
[/CIF]
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