The crystal structure described by La(CuO2)2 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OLa2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OLa2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_La(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.909
_cell_length_c   6.378
_cell_angle_alpha   117.045
_cell_angle_beta   116.620
_cell_angle_gamma   91.145
_symmetry_Int_Tables_number   1
_cell_volume   167.906
_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  0.875  0.125  0.749  1.0
  La  La1  1  0.125  0.875  0.251  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.702  0.527  0.851  1.0
  O  O7  1  0.149  0.824  0.852  1.0
  O  O8  1  0.298  0.473  0.149  1.0
  O  O9  1  0.851  0.176  0.148  1.0
  O  O10  1  0.537  0.147  0.345  1.0
  O  O11  1  0.809  0.698  0.345  1.0
  O  O12  1  0.191  0.302  0.655  1.0
  O  O13  1  0.463  0.853  0.655  1.0
[/CIF]
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The crystal structure described by La(CuO2)2 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OLa2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OLa2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_La(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.909
_cell_length_c   6.378
_cell_angle_alpha   117.045
_cell_angle_beta   116.620
_cell_angle_gamma   91.145
_symmetry_Int_Tables_number   1
_cell_volume   167.906
_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  0.875  0.125  0.749  1.0
  La  La1  1  0.125  0.875  0.251  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.702  0.527  0.851  1.0
  O  O7  1  0.149  0.824  0.852  1.0
  O  O8  1  0.298  0.473  0.149  1.0
  O  O9  1  0.851  0.176  0.148  1.0
  O  O10  1  0.537  0.147  0.345  1.0
  O  O11  1  0.809  0.698  0.345  1.0
  O  O12  1  0.191  0.302  0.655  1.0
  O  O13  1  0.463  0.853  0.655  1.0
[/CIF]
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