TeO3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the sixth O site, O(6) is bonded in a water-like geometry to one Te(1) and one Te(2) atom.
TeO3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. The Te(1)-O(1) bond length is 1.92 Å. The Te(1)-O(3) bond length is 2.02 Å. The Te(1)-O(4) bond length is 1.97 Å. The Te(1)-O(6) bond length is 1.97 Å. There is one shorter (1.95 Å) and one longer (1.97 Å) Te(1)-O(5) bond length. In the second Te site, Te(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. The Te(2)-O(1) bond length is 1.97 Å. The Te(2)-O(3) bond length is 1.96 Å. The Te(2)-O(4) bond length is 1.95 Å. The Te(2)-O(6) bond length is 1.99 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Te(2)-O(2) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the sixth O site, O(6) is bonded in a water-like geometry to one Te(1) and one Te(2) atom.