The material structure described by Li5Cu(HO2)2 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted corner-sharing LiO4 tetrahedra. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(3), two equivalent Li(4), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(3), two equivalent Li(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), and one Cu(1) atom to form corner-sharing OLi5Cu octahedra. The corner-sharing octahedral tilt angles are 27°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   7.473
_cell_length_c   10.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.304
_cell_formula_units_Z   4
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  0.047  0.750  0.047  1.0
  Li  Li1  1  0.066  0.250  0.217  1.0
  Li  Li2  1  0.053  0.250  0.726  1.0
  Li  Li3  1  0.278  0.506  0.346  1.0
  Li  Li4  1  0.278  0.994  0.346  1.0
  Li  Li5  1  0.222  0.006  0.846  1.0
  Li  Li6  1  0.222  0.494  0.846  1.0
  Li  Li7  1  0.447  0.750  0.226  1.0
  Li  Li8  1  0.434  0.750  0.717  1.0
  Li  Li9  1  0.453  0.250  0.547  1.0
  Li  Li10  1  0.547  0.750  0.453  1.0
  Li  Li11  1  0.566  0.250  0.283  1.0
  Li  Li12  1  0.553  0.250  0.774  1.0
  Li  Li13  1  0.778  0.506  0.154  1.0
  Li  Li14  1  0.778  0.994  0.154  1.0
  Li  Li15  1  0.722  0.006  0.654  1.0
  Li  Li16  1  0.722  0.494  0.654  1.0
  Li  Li17  1  0.947  0.750  0.274  1.0
  Li  Li18  1  0.934  0.750  0.783  1.0
  Li  Li19  1  0.953  0.250  0.953  1.0
  Cu  Cu20  1  0.997  0.750  0.524  1.0
  Cu  Cu21  1  0.503  0.250  0.024  1.0
  Cu  Cu22  1  0.497  0.750  0.976  1.0
  Cu  Cu23  1  0.003  0.250  0.476  1.0
  H  H24  1  0.248  0.488  0.110  1.0
  H  H25  1  0.248  0.012  0.110  1.0
  H  H26  1  0.252  0.988  0.610  1.0
  H  H27  1  0.252  0.512  0.610  1.0
  H  H28  1  0.748  0.488  0.390  1.0
  H  H29  1  0.748  0.012  0.390  1.0
  H  H30  1  0.752  0.988  0.890  1.0
  H  H31  1  0.752  0.512  0.890  1.0
  O  O32  1  0.145  0.543  0.174  1.0
  O  O33  1  0.145  0.957  0.174  1.0
  O  O34  1  0.217  0.750  0.401  1.0
  O  O35  1  0.263  0.250  0.372  1.0
  O  O36  1  0.237  0.750  0.872  1.0
  O  O37  1  0.283  0.250  0.901  1.0
  O  O38  1  0.355  0.043  0.674  1.0
  O  O39  1  0.355  0.457  0.674  1.0
  O  O40  1  0.645  0.957  0.326  1.0
  O  O41  1  0.645  0.543  0.326  1.0
  O  O42  1  0.717  0.750  0.099  1.0
  O  O43  1  0.763  0.250  0.128  1.0
  O  O44  1  0.737  0.750  0.628  1.0
  O  O45  1  0.783  0.250  0.599  1.0
  O  O46  1  0.855  0.043  0.826  1.0
  O  O47  1  0.855  0.457  0.826  1.0
[/CIF]
.
The material structure described by Li5Cu(HO2)2 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted corner-sharing LiO4 tetrahedra. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(3), two equivalent Li(4), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(3), two equivalent Li(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), and one Cu(1) atom to form corner-sharing OLi5Cu octahedra. The corner-sharing octahedral tilt angles are 27°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   7.473
_cell_length_c   10.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.304
_cell_formula_units_Z   4
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  0.047  0.750  0.047  1.0
  Li  Li1  1  0.066  0.250  0.217  1.0
  Li  Li2  1  0.053  0.250  0.726  1.0
  Li  Li3  1  0.278  0.506  0.346  1.0
  Li  Li4  1  0.278  0.994  0.346  1.0
  Li  Li5  1  0.222  0.006  0.846  1.0
  Li  Li6  1  0.222  0.494  0.846  1.0
  Li  Li7  1  0.447  0.750  0.226  1.0
  Li  Li8  1  0.434  0.750  0.717  1.0
  Li  Li9  1  0.453  0.250  0.547  1.0
  Li  Li10  1  0.547  0.750  0.453  1.0
  Li  Li11  1  0.566  0.250  0.283  1.0
  Li  Li12  1  0.553  0.250  0.774  1.0
  Li  Li13  1  0.778  0.506  0.154  1.0
  Li  Li14  1  0.778  0.994  0.154  1.0
  Li  Li15  1  0.722  0.006  0.654  1.0
  Li  Li16  1  0.722  0.494  0.654  1.0
  Li  Li17  1  0.947  0.750  0.274  1.0
  Li  Li18  1  0.934  0.750  0.783  1.0
  Li  Li19  1  0.953  0.250  0.953  1.0
  Cu  Cu20  1  0.997  0.750  0.524  1.0
  Cu  Cu21  1  0.503  0.250  0.024  1.0
  Cu  Cu22  1  0.497  0.750  0.976  1.0
  Cu  Cu23  1  0.003  0.250  0.476  1.0
  H  H24  1  0.248  0.488  0.110  1.0
  H  H25  1  0.248  0.012  0.110  1.0
  H  H26  1  0.252  0.988  0.610  1.0
  H  H27  1  0.252  0.512  0.610  1.0
  H  H28  1  0.748  0.488  0.390  1.0
  H  H29  1  0.748  0.012  0.390  1.0
  H  H30  1  0.752  0.988  0.890  1.0
  H  H31  1  0.752  0.512  0.890  1.0
  O  O32  1  0.145  0.543  0.174  1.0
  O  O33  1  0.145  0.957  0.174  1.0
  O  O34  1  0.217  0.750  0.401  1.0
  O  O35  1  0.263  0.250  0.372  1.0
  O  O36  1  0.237  0.750  0.872  1.0
  O  O37  1  0.283  0.250  0.901  1.0
  O  O38  1  0.355  0.043  0.674  1.0
  O  O39  1  0.355  0.457  0.674  1.0
  O  O40  1  0.645  0.957  0.326  1.0
  O  O41  1  0.645  0.543  0.326  1.0
  O  O42  1  0.717  0.750  0.099  1.0
  O  O43  1  0.763  0.250  0.128  1.0
  O  O44  1  0.737  0.750  0.628  1.0
  O  O45  1  0.783  0.250  0.599  1.0
  O  O46  1  0.855  0.043  0.826  1.0
  O  O47  1  0.855  0.457  0.826  1.0
[/CIF]
.