The compound described by La4CuO8 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2), three equivalent La(1), and one Cu(1) atom to form distorted OLa5Cu octahedra that share corners with five equivalent O(1)La5Cu octahedra, corners with twelve equivalent O(2)La4Cu square pyramids, edges with two equivalent O(1)La5Cu octahedra, edges with six equivalent O(3)La5 trigonal bipyramids, and faces with four equivalent O(2)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 0-26°. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLa4Cu square pyramids that share corners with six equivalent O(1)La5Cu octahedra,  a cornercorner with one O(2)La4Cu square pyramid, corners with six equivalent O(3)La5 trigonal bipyramids, edges with four equivalent O(2)La4Cu square pyramids, edges with two equivalent O(3)La5 trigonal bipyramids, faces with two equivalent O(1)La5Cu octahedra, and faces with two equivalent O(2)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the third O site, O(3) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form distorted OLa5 trigonal bipyramids that share corners with twelve equivalent O(2)La4Cu square pyramids, corners with four equivalent O(3)La5 trigonal bipyramids, edges with six equivalent O(1)La5Cu octahedra, edges with four equivalent O(2)La4Cu square pyramids, and edges with two equivalent O(3)La5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.046
_cell_length_b   7.046
_cell_length_c   5.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.922
_symmetry_Int_Tables_number   1
_cell_volume   182.220
_cell_formula_units_Z   1
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  0.866  0.134  0.000  1.0
  La  La1  1  0.134  0.866  0.000  1.0
  La  La2  1  0.364  0.636  0.500  1.0
  La  La3  1  0.636  0.364  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.319  0.681  0.000  1.0
  O  O6  1  0.681  0.319  0.000  1.0
  O  O7  1  0.254  0.254  0.756  1.0
  O  O8  1  0.746  0.746  0.756  1.0
  O  O9  1  0.814  0.186  0.500  1.0
  O  O10  1  0.186  0.814  0.500  1.0
  O  O11  1  0.254  0.254  0.244  1.0
  O  O12  1  0.746  0.746  0.244  1.0
[/CIF]
.
The compound described by La4CuO8 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2), three equivalent La(1), and one Cu(1) atom to form distorted OLa5Cu octahedra that share corners with five equivalent O(1)La5Cu octahedra, corners with twelve equivalent O(2)La4Cu square pyramids, edges with two equivalent O(1)La5Cu octahedra, edges with six equivalent O(3)La5 trigonal bipyramids, and faces with four equivalent O(2)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 0-26°. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLa4Cu square pyramids that share corners with six equivalent O(1)La5Cu octahedra,  a cornercorner with one O(2)La4Cu square pyramid, corners with six equivalent O(3)La5 trigonal bipyramids, edges with four equivalent O(2)La4Cu square pyramids, edges with two equivalent O(3)La5 trigonal bipyramids, faces with two equivalent O(1)La5Cu octahedra, and faces with two equivalent O(2)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the third O site, O(3) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form distorted OLa5 trigonal bipyramids that share corners with twelve equivalent O(2)La4Cu square pyramids, corners with four equivalent O(3)La5 trigonal bipyramids, edges with six equivalent O(1)La5Cu octahedra, edges with four equivalent O(2)La4Cu square pyramids, and edges with two equivalent O(3)La5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.046
_cell_length_b   7.046
_cell_length_c   5.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.922
_symmetry_Int_Tables_number   1
_cell_volume   182.220
_cell_formula_units_Z   1
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  0.866  0.134  0.000  1.0
  La  La1  1  0.134  0.866  0.000  1.0
  La  La2  1  0.364  0.636  0.500  1.0
  La  La3  1  0.636  0.364  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.319  0.681  0.000  1.0
  O  O6  1  0.681  0.319  0.000  1.0
  O  O7  1  0.254  0.254  0.756  1.0
  O  O8  1  0.746  0.746  0.756  1.0
  O  O9  1  0.814  0.186  0.500  1.0
  O  O10  1  0.186  0.814  0.500  1.0
  O  O11  1  0.254  0.254  0.244  1.0
  O  O12  1  0.746  0.746  0.244  1.0
[/CIF]
.