The material described by Li10Ni4O9 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Ni(1)O4 tetrahedra, corners with eight equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O4 tetrahedra, and edges with three equivalent Li(2)O4 tetrahedra. Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with five equivalent Ni(1)O4 tetrahedra, corners with eight equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ni(1) atoms to form ONi4 tetrahedra that share corners with eight equivalent O(1)Li4Ni2 octahedra and corners with four equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(3) is bonded to two equivalent Li(1), four equivalent Li(2), and one Ni(1) atom to form distorted OLi6Ni pentagonal bipyramids that share corners with two equivalent O(1)Li4Ni2 octahedra,  a cornercorner with one O(2)Ni4 tetrahedra, edges with four equivalent O(1)Li4Ni2 octahedra, and edges with five equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(1) is bonded to four equivalent Li(2) and two equivalent Ni(1) atoms to form distorted OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(3)Li6Ni pentagonal bipyramids, corners with two equivalent O(2)Ni4 tetrahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with four equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 64°. is represented by the CIF card [CIF]
data_Li10Ni4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.813
_cell_length_b   9.813
_cell_length_c   4.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.718
_cell_formula_units_Z   2
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  0.750  0.750  0.095  1.0
  Li  Li1  1  0.250  0.250  0.905  1.0
  Li  Li2  1  0.250  0.250  0.405  1.0
  Li  Li3  1  0.750  0.750  0.595  1.0
  Li  Li4  1  0.894  0.937  0.044  1.0
  Li  Li5  1  0.606  0.563  0.044  1.0
  Li  Li6  1  0.394  0.063  0.956  1.0
  Li  Li7  1  0.106  0.437  0.956  1.0
  Li  Li8  1  0.063  0.106  0.456  1.0
  Li  Li9  1  0.437  0.394  0.456  1.0
  Li  Li10  1  0.937  0.606  0.544  1.0
  Li  Li11  1  0.563  0.894  0.544  1.0
  Li  Li12  1  0.106  0.063  0.956  1.0
  Li  Li13  1  0.394  0.437  0.956  1.0
  Li  Li14  1  0.606  0.937  0.044  1.0
  Li  Li15  1  0.894  0.563  0.044  1.0
  Li  Li16  1  0.937  0.894  0.544  1.0
  Li  Li17  1  0.563  0.606  0.544  1.0
  Li  Li18  1  0.063  0.394  0.456  1.0
  Li  Li19  1  0.437  0.106  0.456  1.0
  Ni  Ni20  1  0.089  0.750  0.024  1.0
  Ni  Ni21  1  0.411  0.750  0.024  1.0
  Ni  Ni22  1  0.589  0.250  0.976  1.0
  Ni  Ni23  1  0.911  0.250  0.976  1.0
  Ni  Ni24  1  0.250  0.911  0.476  1.0
  Ni  Ni25  1  0.250  0.589  0.476  1.0
  Ni  Ni26  1  0.750  0.411  0.524  1.0
  Ni  Ni27  1  0.750  0.089  0.524  1.0
  O  O28  1  0.076  0.924  0.250  1.0
  O  O29  1  0.424  0.576  0.250  1.0
  O  O30  1  0.576  0.076  0.750  1.0
  O  O31  1  0.924  0.424  0.750  1.0
  O  O32  1  0.924  0.076  0.750  1.0
  O  O33  1  0.576  0.424  0.750  1.0
  O  O34  1  0.424  0.924  0.250  1.0
  O  O35  1  0.076  0.576  0.250  1.0
  O  O36  1  0.750  0.250  0.250  1.0
  O  O37  1  0.250  0.750  0.750  1.0
  O  O38  1  0.092  0.250  0.168  1.0
  O  O39  1  0.408  0.250  0.168  1.0
  O  O40  1  0.592  0.750  0.832  1.0
  O  O41  1  0.908  0.750  0.832  1.0
  O  O42  1  0.750  0.908  0.332  1.0
  O  O43  1  0.750  0.592  0.332  1.0
  O  O44  1  0.250  0.408  0.668  1.0
  O  O45  1  0.250  0.092  0.668  1.0
[/CIF]
.
The material described by Li10Ni4O9 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Ni(1)O4 tetrahedra, corners with eight equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O4 tetrahedra, and edges with three equivalent Li(2)O4 tetrahedra. Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with five equivalent Ni(1)O4 tetrahedra, corners with eight equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ni(1) atoms to form ONi4 tetrahedra that share corners with eight equivalent O(1)Li4Ni2 octahedra and corners with four equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(3) is bonded to two equivalent Li(1), four equivalent Li(2), and one Ni(1) atom to form distorted OLi6Ni pentagonal bipyramids that share corners with two equivalent O(1)Li4Ni2 octahedra,  a cornercorner with one O(2)Ni4 tetrahedra, edges with four equivalent O(1)Li4Ni2 octahedra, and edges with five equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(1) is bonded to four equivalent Li(2) and two equivalent Ni(1) atoms to form distorted OLi4Ni2 octahedra that share corners with two equivalent O(1)Li4Ni2 octahedra, corners with two equivalent O(3)Li6Ni pentagonal bipyramids, corners with two equivalent O(2)Ni4 tetrahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with four equivalent O(3)Li6Ni pentagonal bipyramids. The corner-sharing octahedral tilt angles are 64°. is represented by the CIF card [CIF]
data_Li10Ni4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.813
_cell_length_b   9.813
_cell_length_c   4.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.718
_cell_formula_units_Z   2
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  0.750  0.750  0.095  1.0
  Li  Li1  1  0.250  0.250  0.905  1.0
  Li  Li2  1  0.250  0.250  0.405  1.0
  Li  Li3  1  0.750  0.750  0.595  1.0
  Li  Li4  1  0.894  0.937  0.044  1.0
  Li  Li5  1  0.606  0.563  0.044  1.0
  Li  Li6  1  0.394  0.063  0.956  1.0
  Li  Li7  1  0.106  0.437  0.956  1.0
  Li  Li8  1  0.063  0.106  0.456  1.0
  Li  Li9  1  0.437  0.394  0.456  1.0
  Li  Li10  1  0.937  0.606  0.544  1.0
  Li  Li11  1  0.563  0.894  0.544  1.0
  Li  Li12  1  0.106  0.063  0.956  1.0
  Li  Li13  1  0.394  0.437  0.956  1.0
  Li  Li14  1  0.606  0.937  0.044  1.0
  Li  Li15  1  0.894  0.563  0.044  1.0
  Li  Li16  1  0.937  0.894  0.544  1.0
  Li  Li17  1  0.563  0.606  0.544  1.0
  Li  Li18  1  0.063  0.394  0.456  1.0
  Li  Li19  1  0.437  0.106  0.456  1.0
  Ni  Ni20  1  0.089  0.750  0.024  1.0
  Ni  Ni21  1  0.411  0.750  0.024  1.0
  Ni  Ni22  1  0.589  0.250  0.976  1.0
  Ni  Ni23  1  0.911  0.250  0.976  1.0
  Ni  Ni24  1  0.250  0.911  0.476  1.0
  Ni  Ni25  1  0.250  0.589  0.476  1.0
  Ni  Ni26  1  0.750  0.411  0.524  1.0
  Ni  Ni27  1  0.750  0.089  0.524  1.0
  O  O28  1  0.076  0.924  0.250  1.0
  O  O29  1  0.424  0.576  0.250  1.0
  O  O30  1  0.576  0.076  0.750  1.0
  O  O31  1  0.924  0.424  0.750  1.0
  O  O32  1  0.924  0.076  0.750  1.0
  O  O33  1  0.576  0.424  0.750  1.0
  O  O34  1  0.424  0.924  0.250  1.0
  O  O35  1  0.076  0.576  0.250  1.0
  O  O36  1  0.750  0.250  0.250  1.0
  O  O37  1  0.250  0.750  0.750  1.0
  O  O38  1  0.092  0.250  0.168  1.0
  O  O39  1  0.408  0.250  0.168  1.0
  O  O40  1  0.592  0.750  0.832  1.0
  O  O41  1  0.908  0.750  0.832  1.0
  O  O42  1  0.750  0.908  0.332  1.0
  O  O43  1  0.750  0.592  0.332  1.0
  O  O44  1  0.250  0.408  0.668  1.0
  O  O45  1  0.250  0.092  0.668  1.0
[/CIF]
.