The material described by Li10Zn4O9 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 two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Zn(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Li(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with five equivalent Zn(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with eight equivalent O(1)Li4Zn2 octahedra and corners with four equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(3) is bonded to two equivalent Li(2), four equivalent Li(1), and one Zn(1) atom to form distorted OLi6Zn pentagonal bipyramids that share corners with two equivalent O(1)Li4Zn2 octahedra,  a cornercorner with one O(2)Zn4 tetrahedra, edges with four equivalent O(1)Li4Zn2 octahedra, and edges with five equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(1) is bonded to four equivalent Li(1) and two equivalent Zn(1) atoms to form distorted OLi4Zn2 octahedra that share corners with two equivalent O(1)Li4Zn2 octahedra, corners with two equivalent O(3)Li6Zn pentagonal bipyramids, corners with two equivalent O(2)Zn4 tetrahedra, edges with two equivalent O(1)Li4Zn2 octahedra, and edges with four equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_Li10Zn4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.661
_cell_length_b   9.661
_cell_length_c   4.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.463
_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  0.645  0.187  0.291  1.0
  Li  Li1  1  0.355  0.813  0.291  1.0
  Li  Li2  1  0.313  0.145  0.791  1.0
  Li  Li3  1  0.687  0.855  0.791  1.0
  Li  Li4  1  0.187  0.645  0.709  1.0
  Li  Li5  1  0.145  0.313  0.209  1.0
  Li  Li6  1  0.855  0.687  0.209  1.0
  Li  Li7  1  0.813  0.355  0.709  1.0
  Li  Li8  1  0.187  0.355  0.709  1.0
  Li  Li9  1  0.813  0.645  0.709  1.0
  Li  Li10  1  0.313  0.855  0.791  1.0
  Li  Li11  1  0.355  0.187  0.291  1.0
  Li  Li12  1  0.645  0.813  0.291  1.0
  Li  Li13  1  0.687  0.145  0.791  1.0
  Li  Li14  1  0.000  0.500  0.169  1.0
  Li  Li15  1  0.000  0.500  0.669  1.0
  Li  Li16  1  0.500  0.000  0.331  1.0
  Li  Li17  1  0.500  0.000  0.831  1.0
  Li  Li18  1  0.145  0.687  0.209  1.0
  Li  Li19  1  0.855  0.313  0.209  1.0
  Zn  Zn20  1  0.662  0.500  0.231  1.0
  Zn  Zn21  1  0.338  0.500  0.231  1.0
  Zn  Zn22  1  0.000  0.162  0.731  1.0
  Zn  Zn23  1  0.000  0.838  0.731  1.0
  Zn  Zn24  1  0.500  0.662  0.769  1.0
  Zn  Zn25  1  0.162  0.000  0.269  1.0
  Zn  Zn26  1  0.838  0.000  0.269  1.0
  Zn  Zn27  1  0.500  0.338  0.769  1.0
  O  O28  1  0.174  0.174  0.500  1.0
  O  O29  1  0.326  0.674  0.000  1.0
  O  O30  1  0.826  0.174  0.500  1.0
  O  O31  1  0.674  0.674  0.000  1.0
  O  O32  1  0.326  0.326  0.000  1.0
  O  O33  1  0.174  0.826  0.500  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.000  0.000  0.000  1.0
  O  O36  1  0.657  0.000  0.070  1.0
  O  O37  1  0.343  0.000  0.070  1.0
  O  O38  1  0.500  0.157  0.570  1.0
  O  O39  1  0.500  0.843  0.570  1.0
  O  O40  1  0.000  0.657  0.930  1.0
  O  O41  1  0.157  0.500  0.430  1.0
  O  O42  1  0.843  0.500  0.430  1.0
  O  O43  1  0.000  0.343  0.930  1.0
  O  O44  1  0.674  0.326  0.000  1.0
  O  O45  1  0.826  0.826  0.500  1.0
[/CIF]
.
The material described by Li10Zn4O9 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 two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Zn(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Li(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with five equivalent Zn(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with eight equivalent O(1)Li4Zn2 octahedra and corners with four equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(3) is bonded to two equivalent Li(2), four equivalent Li(1), and one Zn(1) atom to form distorted OLi6Zn pentagonal bipyramids that share corners with two equivalent O(1)Li4Zn2 octahedra,  a cornercorner with one O(2)Zn4 tetrahedra, edges with four equivalent O(1)Li4Zn2 octahedra, and edges with five equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(1) is bonded to four equivalent Li(1) and two equivalent Zn(1) atoms to form distorted OLi4Zn2 octahedra that share corners with two equivalent O(1)Li4Zn2 octahedra, corners with two equivalent O(3)Li6Zn pentagonal bipyramids, corners with two equivalent O(2)Zn4 tetrahedra, edges with two equivalent O(1)Li4Zn2 octahedra, and edges with four equivalent O(3)Li6Zn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_Li10Zn4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.661
_cell_length_b   9.661
_cell_length_c   4.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.463
_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  0.645  0.187  0.291  1.0
  Li  Li1  1  0.355  0.813  0.291  1.0
  Li  Li2  1  0.313  0.145  0.791  1.0
  Li  Li3  1  0.687  0.855  0.791  1.0
  Li  Li4  1  0.187  0.645  0.709  1.0
  Li  Li5  1  0.145  0.313  0.209  1.0
  Li  Li6  1  0.855  0.687  0.209  1.0
  Li  Li7  1  0.813  0.355  0.709  1.0
  Li  Li8  1  0.187  0.355  0.709  1.0
  Li  Li9  1  0.813  0.645  0.709  1.0
  Li  Li10  1  0.313  0.855  0.791  1.0
  Li  Li11  1  0.355  0.187  0.291  1.0
  Li  Li12  1  0.645  0.813  0.291  1.0
  Li  Li13  1  0.687  0.145  0.791  1.0
  Li  Li14  1  0.000  0.500  0.169  1.0
  Li  Li15  1  0.000  0.500  0.669  1.0
  Li  Li16  1  0.500  0.000  0.331  1.0
  Li  Li17  1  0.500  0.000  0.831  1.0
  Li  Li18  1  0.145  0.687  0.209  1.0
  Li  Li19  1  0.855  0.313  0.209  1.0
  Zn  Zn20  1  0.662  0.500  0.231  1.0
  Zn  Zn21  1  0.338  0.500  0.231  1.0
  Zn  Zn22  1  0.000  0.162  0.731  1.0
  Zn  Zn23  1  0.000  0.838  0.731  1.0
  Zn  Zn24  1  0.500  0.662  0.769  1.0
  Zn  Zn25  1  0.162  0.000  0.269  1.0
  Zn  Zn26  1  0.838  0.000  0.269  1.0
  Zn  Zn27  1  0.500  0.338  0.769  1.0
  O  O28  1  0.174  0.174  0.500  1.0
  O  O29  1  0.326  0.674  0.000  1.0
  O  O30  1  0.826  0.174  0.500  1.0
  O  O31  1  0.674  0.674  0.000  1.0
  O  O32  1  0.326  0.326  0.000  1.0
  O  O33  1  0.174  0.826  0.500  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.000  0.000  0.000  1.0
  O  O36  1  0.657  0.000  0.070  1.0
  O  O37  1  0.343  0.000  0.070  1.0
  O  O38  1  0.500  0.157  0.570  1.0
  O  O39  1  0.500  0.843  0.570  1.0
  O  O40  1  0.000  0.657  0.930  1.0
  O  O41  1  0.157  0.500  0.430  1.0
  O  O42  1  0.843  0.500  0.430  1.0
  O  O43  1  0.000  0.343  0.930  1.0
  O  O44  1  0.674  0.326  0.000  1.0
  O  O45  1  0.826  0.826  0.500  1.0
[/CIF]
.