LiNb2Te4OCl10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Te(4), one Cl(3), one Cl(6), and one Cl(9) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Te(1), one Te(4), and one Cl(1) atom. In the third Te site, Te(3) is bonded in a 2-coordinate geometry to one Te(1) and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one Li(1), one Te(2), and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) and one Te(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) atom.
LiNb2Te4OCl10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Te(4), one Cl(3), one Cl(6), and one Cl(9) atom. The Li(1)-Te(4) bond length is 3.23 Å. The Li(1)-Cl(3) bond length is 2.40 Å. The Li(1)-Cl(6) bond length is 2.35 Å. The Li(1)-Cl(9) bond length is 2.36 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. The Nb(1)-O(1) bond length is 1.94 Å. The Nb(1)-Cl(10) bond length is 2.45 Å. The Nb(1)-Cl(2) bond length is 2.36 Å. The Nb(1)-Cl(7) bond length is 2.40 Å. The Nb(1)-Cl(8) bond length is 2.35 Å. The Nb(1)-Cl(9) bond length is 2.47 Å. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. The Nb(2)-O(1) bond length is 1.90 Å. The Nb(2)-Cl(1) bond length is 2.47 Å. The Nb(2)-Cl(3) bond length is 2.44 Å. The Nb(2)-Cl(4) bond length is 2.37 Å. The Nb(2)-Cl(5) bond length is 2.33 Å. The Nb(2)-Cl(6) bond length is 2.47 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. The Te(1)-Te(2) bond length is 2.74 Å. The Te(1)-Te(3) bond length is 2.76 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Te(1), one Te(4), and one Cl(1) atom. The Te(2)-Te(4) bond length is 2.78 Å. The Te(2)-Cl(1) bond length is 3.16 Å. In the third Te site, Te(3) is bonded in a 2-coordinate geometry to one Te(1) and one Te(4) atom. The Te(3)-Te(4) bond length is 2.76 Å. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one Li(1), one Te(2), and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) and one Te(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) atom.