The structure described by La4NiCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m 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(2); two equivalent O(4); two equivalent O(5); and three O(3,3) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to one O(1); one O(2); two equivalent O(4); two equivalent O(5); and three O(3,3) atoms. In the third La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. In the fourth La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2); two O(3,3); and two O(5,5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two Cu(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are nine inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Cu(1) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Cu(1) atom. In the third O site, O(5) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Cu(1) atom to form distorted OLa4CuNi octahedra that share corners with two O(5,5)La4CuNi octahedra; corners with six O(3,3)La5Ni octahedra; edges with two equivalent O(5)La4CuNi octahedra; faces with two equivalent O(1)La4Cu2 octahedra; faces with two equivalent O(2)La4Ni2 octahedra; and faces with two O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fourth O site, O(5) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Cu(1) atom to form distorted OLa4CuNi octahedra that share corners with two O(5,5)La4CuNi octahedra; corners with six O(3,3)La5Ni octahedra; edges with two equivalent O(5)La4CuNi octahedra; faces with two equivalent O(1)La4Cu2 octahedra; faces with two equivalent O(2)La4Ni2 octahedra; and faces with two O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra; corners with ten O(3,3)La5Ni octahedra; edges with two equivalent O(2)La4Ni2 octahedra; and faces with four equivalent O(5)La4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the sixth O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra; corners with ten O(3,3)La5Ni octahedra; edges with two equivalent O(2)La4Ni2 octahedra; and faces with four equivalent O(5)La4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the seventh O site, O(2) is bonded to two La(1,1); two La(2,2); and two equivalent Ni(1) atoms to form distorted OLa4Ni2 octahedra that share corners with two equivalent O(2)La4Ni2 octahedra; corners with two O(3,3)La5Ni octahedra; edges with two O(1,1)La4Cu2 octahedra; faces with four O(5,5)La4CuNi octahedra; and faces with four O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the eighth O site, O(3) is bonded to two equivalent La(2); three La(1,1); and one Ni(1) atom to form distorted OLa5Ni octahedra that share  a cornercorner with one O(2)La4Ni2 octahedra;  a cornercorner with one O(3)La5Ni octahedra; corners with five O(1,1)La4Cu2 octahedra; corners with six O(5,5)La4CuNi octahedra; edges with four O(3,3)La5Ni octahedra; faces with two O(5,5)La4CuNi octahedra; and faces with two equivalent O(2)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the ninth O site, O(3) is bonded to two equivalent La(2); three La(1,1); and one Ni(1) atom to form distorted OLa5Ni octahedra that share  a cornercorner with one O(2)La4Ni2 octahedra;  a cornercorner with one O(3)La5Ni octahedra; corners with five O(1,1)La4Cu2 octahedra; corners with six O(5,5)La4CuNi octahedra; edges with four O(3,3)La5Ni octahedra; faces with two O(5,5)La4CuNi octahedra; and faces with two equivalent O(2)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_La4CuNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   6.987
_cell_length_c   7.733
_cell_angle_alpha   74.623
_cell_angle_beta   90.000
_cell_angle_gamma   73.899
_symmetry_Int_Tables_number   1
_cell_volume   193.404
_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
  Cu  Cu0  1  1.000  1.000  1.000  1.0
  La  La1  1  0.643  0.714  0.317  1.0
  La  La2  1  0.357  0.286  0.683  1.0
  La  La3  1  0.632  0.735  0.810  1.0
  La  La4  1  0.367  0.265  0.190  1.0
  Ni  Ni5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.500  1.000  1.000  1.0
  O  O7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.826  0.348  0.428  1.0
  O  O9  1  0.174  0.652  0.572  1.0
  O  O10  1  0.808  0.383  0.875  1.0
  O  O11  1  0.192  0.617  0.125  1.0
  O  O12  1  0.990  0.019  0.240  1.0
  O  O13  1  0.009  0.981  0.760  1.0
[/CIF]
.
The structure described by La4NiCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m 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(2); two equivalent O(4); two equivalent O(5); and three O(3,3) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to one O(1); one O(2); two equivalent O(4); two equivalent O(5); and three O(3,3) atoms. In the third La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. In the fourth La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2); two O(3,3); and two O(5,5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two Cu(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are nine inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Cu(1) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Cu(1) atom. In the third O site, O(5) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Cu(1) atom to form distorted OLa4CuNi octahedra that share corners with two O(5,5)La4CuNi octahedra; corners with six O(3,3)La5Ni octahedra; edges with two equivalent O(5)La4CuNi octahedra; faces with two equivalent O(1)La4Cu2 octahedra; faces with two equivalent O(2)La4Ni2 octahedra; and faces with two O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fourth O site, O(5) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Cu(1) atom to form distorted OLa4CuNi octahedra that share corners with two O(5,5)La4CuNi octahedra; corners with six O(3,3)La5Ni octahedra; edges with two equivalent O(5)La4CuNi octahedra; faces with two equivalent O(1)La4Cu2 octahedra; faces with two equivalent O(2)La4Ni2 octahedra; and faces with two O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra; corners with ten O(3,3)La5Ni octahedra; edges with two equivalent O(2)La4Ni2 octahedra; and faces with four equivalent O(5)La4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the sixth O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(1)La4Cu2 octahedra; corners with ten O(3,3)La5Ni octahedra; edges with two equivalent O(2)La4Ni2 octahedra; and faces with four equivalent O(5)La4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the seventh O site, O(2) is bonded to two La(1,1); two La(2,2); and two equivalent Ni(1) atoms to form distorted OLa4Ni2 octahedra that share corners with two equivalent O(2)La4Ni2 octahedra; corners with two O(3,3)La5Ni octahedra; edges with two O(1,1)La4Cu2 octahedra; faces with four O(5,5)La4CuNi octahedra; and faces with four O(3,3)La5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the eighth O site, O(3) is bonded to two equivalent La(2); three La(1,1); and one Ni(1) atom to form distorted OLa5Ni octahedra that share  a cornercorner with one O(2)La4Ni2 octahedra;  a cornercorner with one O(3)La5Ni octahedra; corners with five O(1,1)La4Cu2 octahedra; corners with six O(5,5)La4CuNi octahedra; edges with four O(3,3)La5Ni octahedra; faces with two O(5,5)La4CuNi octahedra; and faces with two equivalent O(2)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the ninth O site, O(3) is bonded to two equivalent La(2); three La(1,1); and one Ni(1) atom to form distorted OLa5Ni octahedra that share  a cornercorner with one O(2)La4Ni2 octahedra;  a cornercorner with one O(3)La5Ni octahedra; corners with five O(1,1)La4Cu2 octahedra; corners with six O(5,5)La4CuNi octahedra; edges with four O(3,3)La5Ni octahedra; faces with two O(5,5)La4CuNi octahedra; and faces with two equivalent O(2)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_La4CuNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   6.987
_cell_length_c   7.733
_cell_angle_alpha   74.623
_cell_angle_beta   90.000
_cell_angle_gamma   73.899
_symmetry_Int_Tables_number   1
_cell_volume   193.404
_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
  Cu  Cu0  1  1.000  1.000  1.000  1.0
  La  La1  1  0.643  0.714  0.317  1.0
  La  La2  1  0.357  0.286  0.683  1.0
  La  La3  1  0.632  0.735  0.810  1.0
  La  La4  1  0.367  0.265  0.190  1.0
  Ni  Ni5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.500  1.000  1.000  1.0
  O  O7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.826  0.348  0.428  1.0
  O  O9  1  0.174  0.652  0.572  1.0
  O  O10  1  0.808  0.383  0.875  1.0
  O  O11  1  0.192  0.617  0.125  1.0
  O  O12  1  0.990  0.019  0.240  1.0
  O  O13  1  0.009  0.981  0.760  1.0
[/CIF]
.