The material structure 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 2-coordinate geometry to one Cu(1), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cu(1), one O(2), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to 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 distorted linear geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Cu(1), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ni(1), one Ni(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Ni(2), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and two equivalent Cu(1) atoms. 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  0.800  0.496  0.404  1.0
  Li  Li1  1  0.600  0.503  0.784  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.400  0.497  0.216  1.0
  Li  Li4  1  0.200  0.504  0.596  1.0
  Cu  Cu5  1  0.402  0.002  0.696  1.0
  Cu  Cu6  1  0.598  0.998  0.304  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.801  0.999  0.898  1.0
  Ni  Ni9  1  0.199  0.001  0.102  1.0
  O  O10  1  0.182  0.257  0.863  1.0
  O  O11  1  0.399  0.770  0.932  1.0
  O  O12  1  0.603  0.768  0.530  1.0
  O  O13  1  0.981  0.241  0.240  1.0
  O  O14  1  0.768  0.233  0.662  1.0
  O  O15  1  0.232  0.767  0.338  1.0
  O  O16  1  0.019  0.759  0.760  1.0
  O  O17  1  0.397  0.232  0.470  1.0
  O  O18  1  0.601  0.230  0.068  1.0
  O  O19  1  0.818  0.743  0.137  1.0
[/CIF]
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The material structure 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 2-coordinate geometry to one Cu(1), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cu(1), one O(2), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to 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 distorted linear geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Cu(1), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ni(1), one Ni(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Ni(2), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and two equivalent Cu(1) atoms. 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  0.800  0.496  0.404  1.0
  Li  Li1  1  0.600  0.503  0.784  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.400  0.497  0.216  1.0
  Li  Li4  1  0.200  0.504  0.596  1.0
  Cu  Cu5  1  0.402  0.002  0.696  1.0
  Cu  Cu6  1  0.598  0.998  0.304  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  Ni  Ni8  1  0.801  0.999  0.898  1.0
  Ni  Ni9  1  0.199  0.001  0.102  1.0
  O  O10  1  0.182  0.257  0.863  1.0
  O  O11  1  0.399  0.770  0.932  1.0
  O  O12  1  0.603  0.768  0.530  1.0
  O  O13  1  0.981  0.241  0.240  1.0
  O  O14  1  0.768  0.233  0.662  1.0
  O  O15  1  0.232  0.767  0.338  1.0
  O  O16  1  0.019  0.759  0.760  1.0
  O  O17  1  0.397  0.232  0.470  1.0
  O  O18  1  0.601  0.230  0.068  1.0
  O  O19  1  0.818  0.743  0.137  1.0
[/CIF]
.