The material described by Li5Ni3Cu2O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), two equivalent Cu(1), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), one Cu(1), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Cu(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(1), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Cu(1), and one O(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Ni(2), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Cu(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.130
_cell_length_c   7.660
_cell_angle_alpha   106.903
_cell_angle_beta   102.898
_cell_angle_gamma   101.218
_symmetry_Int_Tables_number   1
_cell_volume   177.228
_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  0.396  0.092  0.404  1.0
  Li  Li1  1  0.816  0.719  0.784  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.184  0.281  0.216  1.0
  Li  Li4  1  0.604  0.908  0.596  1.0
  Cu  Cu5  1  0.706  0.306  0.696  1.0
  Cu  Cu6  1  0.294  0.694  0.304  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.903  0.102  0.898  1.0
  Ni  Ni9  1  0.097  0.898  0.102  1.0
  O  O10  1  0.319  0.394  0.863  1.0
  O  O11  1  0.467  0.838  0.932  1.0
  O  O12  1  0.073  0.238  0.530  1.0
  O  O13  1  0.742  0.002  0.240  1.0
  O  O14  1  0.106  0.571  0.662  1.0
  O  O15  1  0.894  0.429  0.338  1.0
  O  O16  1  0.258  0.998  0.760  1.0
  O  O17  1  0.927  0.762  0.470  1.0
  O  O18  1  0.533  0.162  0.068  1.0
  O  O19  1  0.681  0.606  0.137  1.0
[/CIF]
.
The material described by Li5Ni3Cu2O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), two equivalent Cu(1), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), one Cu(1), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Cu(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(1), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Cu(1), and one O(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Ni(2), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Cu(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.130
_cell_length_c   7.660
_cell_angle_alpha   106.903
_cell_angle_beta   102.898
_cell_angle_gamma   101.218
_symmetry_Int_Tables_number   1
_cell_volume   177.228
_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  0.396  0.092  0.404  1.0
  Li  Li1  1  0.816  0.719  0.784  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.184  0.281  0.216  1.0
  Li  Li4  1  0.604  0.908  0.596  1.0
  Cu  Cu5  1  0.706  0.306  0.696  1.0
  Cu  Cu6  1  0.294  0.694  0.304  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.903  0.102  0.898  1.0
  Ni  Ni9  1  0.097  0.898  0.102  1.0
  O  O10  1  0.319  0.394  0.863  1.0
  O  O11  1  0.467  0.838  0.932  1.0
  O  O12  1  0.073  0.238  0.530  1.0
  O  O13  1  0.742  0.002  0.240  1.0
  O  O14  1  0.106  0.571  0.662  1.0
  O  O15  1  0.894  0.429  0.338  1.0
  O  O16  1  0.258  0.998  0.760  1.0
  O  O17  1  0.927  0.762  0.470  1.0
  O  O18  1  0.533  0.162  0.068  1.0
  O  O19  1  0.681  0.606  0.137  1.0
[/CIF]
.