The material described by La2Cu2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 9-coordinate geometry to one O(3), 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 to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 11°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra, corners with four equivalent O(3)La2Cu2 tetrahedra, edges with two equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(1)La4Cu2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Cu(2) atoms to form OLa2Cu2 tetrahedra that share corners with eight equivalent O(1)La4Cu2 octahedra and corners with two equivalent O(3)La2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 24-70°. is represented by the CIF card [CIF]
data_La2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   8.943
_cell_angle_alpha   145.062
_cell_angle_beta   143.780
_cell_angle_gamma   51.206
_symmetry_Int_Tables_number   1
_cell_volume   240.783
_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  0.874  0.381  0.483  1.0
  La  La1  1  0.126  0.608  0.506  1.0
  La  La2  1  0.398  0.881  0.506  1.0
  La  La3  1  0.602  0.108  0.483  1.0
  Cu  Cu4  1  0.000  0.990  0.990  1.0
  Cu  Cu5  1  0.500  0.490  0.990  1.0
  Cu  Cu6  1  0.785  0.772  0.057  1.0
  Cu  Cu7  1  0.215  0.272  0.987  1.0
  O  O8  1  0.757  0.754  0.488  1.0
  O  O9  1  0.243  0.731  0.998  1.0
  O  O10  1  0.766  0.254  0.998  1.0
  O  O11  1  0.234  0.231  0.488  1.0
  O  O12  1  0.802  0.834  0.910  1.0
  O  O13  1  0.198  0.108  0.031  1.0
  O  O14  1  0.424  0.334  0.031  1.0
  O  O15  1  0.576  0.608  0.910  1.0
  O  O16  1  0.851  0.157  0.508  1.0
  O  O17  1  0.149  0.657  0.306  1.0
[/CIF]
.
The material described by La2Cu2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 9-coordinate geometry to one O(3), 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 to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 11°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra, corners with four equivalent O(3)La2Cu2 tetrahedra, edges with two equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(1)La4Cu2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Cu(2) atoms to form OLa2Cu2 tetrahedra that share corners with eight equivalent O(1)La4Cu2 octahedra and corners with two equivalent O(3)La2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 24-70°. is represented by the CIF card [CIF]
data_La2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   8.943
_cell_angle_alpha   145.062
_cell_angle_beta   143.780
_cell_angle_gamma   51.206
_symmetry_Int_Tables_number   1
_cell_volume   240.783
_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  0.874  0.381  0.483  1.0
  La  La1  1  0.126  0.608  0.506  1.0
  La  La2  1  0.398  0.881  0.506  1.0
  La  La3  1  0.602  0.108  0.483  1.0
  Cu  Cu4  1  0.000  0.990  0.990  1.0
  Cu  Cu5  1  0.500  0.490  0.990  1.0
  Cu  Cu6  1  0.785  0.772  0.057  1.0
  Cu  Cu7  1  0.215  0.272  0.987  1.0
  O  O8  1  0.757  0.754  0.488  1.0
  O  O9  1  0.243  0.731  0.998  1.0
  O  O10  1  0.766  0.254  0.998  1.0
  O  O11  1  0.234  0.231  0.488  1.0
  O  O12  1  0.802  0.834  0.910  1.0
  O  O13  1  0.198  0.108  0.031  1.0
  O  O14  1  0.424  0.334  0.031  1.0
  O  O15  1  0.576  0.608  0.910  1.0
  O  O16  1  0.851  0.157  0.508  1.0
  O  O17  1  0.149  0.657  0.306  1.0
[/CIF]
.