The material described by Li5Cu3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-25°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Ni(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(2), one Ni(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra, corners with two equivalent O(3)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li2Cu3Ni octahedra, edges with two equivalent O(5)Li4CuNi octahedra, and edges with three equivalent O(4)Li3Cu2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms to form distorted OLi4Ni2 octahedra that share  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(2)Li2Cu3Ni octahedra,  an edgeedge with one O(2)Li2Cu3Ni octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with three equivalent O(4)Li3Cu2Ni octahedra, and edges with four equivalent O(5)Li4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(1), and one Cu(2) atom to form distorted OLi3Cu2Ni octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(4)Li3Cu2Ni octahedra, edges with three equivalent O(2)Li2Cu3Ni octahedra, edges with three equivalent O(5)Li4CuNi octahedra, and edges with three equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ni(1), and one Cu(2) atom to form OLi4CuNi octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4CuNi octahedra, edges with two equivalent O(2)Li2Cu3Ni octahedra, edges with three equivalent O(4)Li3Cu2Ni octahedra, and edges with four equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Li5Cu3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   5.259
_cell_length_c   7.482
_cell_angle_alpha   105.091
_cell_angle_beta   103.266
_cell_angle_gamma   103.991
_symmetry_Int_Tables_number   1
_cell_volume   174.392
_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
  Li  Li0  1  0.208  0.897  0.399  1.0
  Li  Li1  1  0.396  0.281  0.786  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.604  0.719  0.214  1.0
  Li  Li4  1  0.792  0.103  0.601  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.696  0.888  0.897  1.0
  Cu  Cu7  1  0.304  0.112  0.103  1.0
  Ni  Ni8  1  0.101  0.676  0.692  1.0
  Ni  Ni9  1  0.899  0.324  0.308  1.0
  O  O10  1  0.058  0.021  0.836  1.0
  O  O11  1  0.340  0.668  0.924  1.0
  O  O12  1  0.129  0.333  0.545  1.0
  O  O13  1  0.214  0.523  0.248  1.0
  O  O14  1  0.444  0.880  0.663  1.0
  O  O15  1  0.556  0.120  0.337  1.0
  O  O16  1  0.786  0.477  0.752  1.0
  O  O17  1  0.871  0.667  0.455  1.0
  O  O18  1  0.660  0.332  0.076  1.0
  O  O19  1  0.942  0.979  0.164  1.0
[/CIF]
.
The material described by Li5Cu3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-25°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Ni(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(2), one Ni(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra, corners with two equivalent O(3)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li2Cu3Ni octahedra, edges with two equivalent O(5)Li4CuNi octahedra, and edges with three equivalent O(4)Li3Cu2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms to form distorted OLi4Ni2 octahedra that share  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(2)Li2Cu3Ni octahedra,  an edgeedge with one O(2)Li2Cu3Ni octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, edges with three equivalent O(4)Li3Cu2Ni octahedra, and edges with four equivalent O(5)Li4CuNi octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(1), and one Cu(2) atom to form distorted OLi3Cu2Ni octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(4)Li3Cu2Ni octahedra, edges with three equivalent O(2)Li2Cu3Ni octahedra, edges with three equivalent O(5)Li4CuNi octahedra, and edges with three equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ni(1), and one Cu(2) atom to form OLi4CuNi octahedra that share  a cornercorner with one O(2)Li2Cu3Ni octahedra,  a cornercorner with one O(4)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li4CuNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra,  an edgeedge with one O(5)Li4CuNi octahedra, edges with two equivalent O(2)Li2Cu3Ni octahedra, edges with three equivalent O(4)Li3Cu2Ni octahedra, and edges with four equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Li5Cu3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   5.259
_cell_length_c   7.482
_cell_angle_alpha   105.091
_cell_angle_beta   103.266
_cell_angle_gamma   103.991
_symmetry_Int_Tables_number   1
_cell_volume   174.392
_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
  Li  Li0  1  0.208  0.897  0.399  1.0
  Li  Li1  1  0.396  0.281  0.786  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.604  0.719  0.214  1.0
  Li  Li4  1  0.792  0.103  0.601  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.696  0.888  0.897  1.0
  Cu  Cu7  1  0.304  0.112  0.103  1.0
  Ni  Ni8  1  0.101  0.676  0.692  1.0
  Ni  Ni9  1  0.899  0.324  0.308  1.0
  O  O10  1  0.058  0.021  0.836  1.0
  O  O11  1  0.340  0.668  0.924  1.0
  O  O12  1  0.129  0.333  0.545  1.0
  O  O13  1  0.214  0.523  0.248  1.0
  O  O14  1  0.444  0.880  0.663  1.0
  O  O15  1  0.556  0.120  0.337  1.0
  O  O16  1  0.786  0.477  0.752  1.0
  O  O17  1  0.871  0.667  0.455  1.0
  O  O18  1  0.660  0.332  0.076  1.0
  O  O19  1  0.942  0.979  0.164  1.0
[/CIF]
.