The structure described by Li2Nb4ZnO12 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), one O(8), and one O(9) atom. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the third Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth Nb site, Nb(4) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Nb(2), one Nb(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(3), one Nb(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(2), one Nb(1), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Nb(1), one Nb(4), and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(2), one Nb(3), and one Zn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Nb(2), one Nb(3), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Li2Nb4ZnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.612
_cell_length_c   7.694
_cell_angle_alpha   95.245
_cell_angle_beta   90.139
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   225.494
_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  0.503  0.944  0.277  1.0
  Li  Li1  1  0.998  0.433  0.785  1.0
  Nb  Nb2  1  0.508  0.501  0.995  1.0
  Nb  Nb3  1  0.497  0.509  0.510  1.0
  Nb  Nb4  1  0.996  0.004  0.501  1.0
  Nb  Nb5  1  0.007  0.990  0.992  1.0
  Zn  Zn6  1  0.998  0.440  0.272  1.0
  O  O7  1  0.818  0.352  0.540  1.0
  O  O8  1  0.631  0.543  0.234  1.0
  O  O9  1  0.685  0.841  0.525  1.0
  O  O10  1  0.879  0.054  0.232  1.0
  O  O11  1  0.814  0.716  0.919  1.0
  O  O12  1  0.314  0.847  0.050  1.0
  O  O13  1  0.705  0.238  0.926  1.0
  O  O14  1  0.103  0.049  0.735  1.0
  O  O15  1  0.184  0.353  0.045  1.0
  O  O16  1  0.367  0.531  0.736  1.0
  O  O17  1  0.304  0.231  0.415  1.0
  O  O18  1  0.189  0.720  0.413  1.0
[/CIF]
.
The structure described by Li2Nb4ZnO12 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), one O(8), and one O(9) atom. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the third Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth Nb site, Nb(4) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Nb(2), one Nb(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(3), one Nb(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(2), one Nb(1), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Nb(1), one Nb(4), and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Nb(2), one Nb(3), and one Zn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Nb(2), one Nb(3), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Li2Nb4ZnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.612
_cell_length_c   7.694
_cell_angle_alpha   95.245
_cell_angle_beta   90.139
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   225.494
_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  0.503  0.944  0.277  1.0
  Li  Li1  1  0.998  0.433  0.785  1.0
  Nb  Nb2  1  0.508  0.501  0.995  1.0
  Nb  Nb3  1  0.497  0.509  0.510  1.0
  Nb  Nb4  1  0.996  0.004  0.501  1.0
  Nb  Nb5  1  0.007  0.990  0.992  1.0
  Zn  Zn6  1  0.998  0.440  0.272  1.0
  O  O7  1  0.818  0.352  0.540  1.0
  O  O8  1  0.631  0.543  0.234  1.0
  O  O9  1  0.685  0.841  0.525  1.0
  O  O10  1  0.879  0.054  0.232  1.0
  O  O11  1  0.814  0.716  0.919  1.0
  O  O12  1  0.314  0.847  0.050  1.0
  O  O13  1  0.705  0.238  0.926  1.0
  O  O14  1  0.103  0.049  0.735  1.0
  O  O15  1  0.184  0.353  0.045  1.0
  O  O16  1  0.367  0.531  0.736  1.0
  O  O17  1  0.304  0.231  0.415  1.0
  O  O18  1  0.189  0.720  0.413  1.0
[/CIF]
.