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.
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. The Li(1)-O(11) bond length is 2.13 Å. The Li(1)-O(12) bond length is 2.37 Å. The Li(1)-O(2) bond length is 2.35 Å. The Li(1)-O(3) bond length is 2.26 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(6) bond length is 2.03 Å. 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. The Li(2)-O(1) bond length is 2.12 Å. The Li(2)-O(10) bond length is 2.06 Å. The Li(2)-O(5) bond length is 2.06 Å. The Li(2)-O(7) bond length is 2.22 Å. The Li(2)-O(8) bond length is 2.23 Å. The Li(2)-O(9) bond length is 2.31 Å. 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°. The Nb(1)-O(10) bond length is 2.14 Å. The Nb(1)-O(2) bond length is 1.94 Å. The Nb(1)-O(5) bond length is 2.12 Å. The Nb(1)-O(6) bond length is 2.20 Å. The Nb(1)-O(7) bond length is 1.85 Å. The Nb(1)-O(9) bond length is 1.94 Å. 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°. The Nb(2)-O(1) bond length is 1.92 Å. The Nb(2)-O(10) bond length is 1.87 Å. The Nb(2)-O(11) bond length is 1.94 Å. The Nb(2)-O(12) bond length is 2.17 Å. The Nb(2)-O(2) bond length is 2.26 Å. The Nb(2)-O(3) bond length is 2.10 Å. 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°. The Nb(3)-O(1) bond length is 2.16 Å. The Nb(3)-O(11) bond length is 2.19 Å. The Nb(3)-O(12) bond length is 1.96 Å. The Nb(3)-O(3) bond length is 1.88 Å. The Nb(3)-O(4) bond length is 2.20 Å. The Nb(3)-O(8) bond length is 1.88 Å. 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°. The Nb(4)-O(4) bond length is 1.97 Å. The Nb(4)-O(5) bond length is 1.88 Å. The Nb(4)-O(6) bond length is 1.87 Å. The Nb(4)-O(7) bond length is 2.20 Å. The Nb(4)-O(8) bond length is 2.10 Å. The Nb(4)-O(9) bond length is 2.24 Å. 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. The Zn(1)-O(1) bond length is 2.36 Å. The Zn(1)-O(11) bond length is 2.33 Å. The Zn(1)-O(12) bond length is 2.08 Å. The Zn(1)-O(2) bond length is 2.03 Å. The Zn(1)-O(4) bond length is 2.25 Å. The Zn(1)-O(9) bond length is 2.02 Å. 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.