CdTeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 72°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Te(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Cd(2), one Te(1), and one Te(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Te(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one Te(1) atom. In the sixth O site, O(4) is bonded to one Cd(1), two equivalent Cd(2), and one Te(2) atom to form corner-sharing OCd3Te tetrahedra.
CdTeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. The Cd(1)-O(1) bond length is 2.30 Å. The Cd(1)-O(3) bond length is 2.32 Å. The Cd(1)-O(4) bond length is 2.43 Å. The Cd(1)-O(5) bond length is 2.32 Å. There is one shorter (2.21 Å) and one longer (2.49 Å) Cd(1)-O(2) bond length. In the second Cd site, Cd(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 72°. The Cd(2)-O(1) bond length is 2.30 Å. The Cd(2)-O(3) bond length is 2.31 Å. The Cd(2)-O(5) bond length is 2.36 Å. The Cd(2)-O(6) bond length is 2.38 Å. There is one shorter (2.31 Å) and one longer (2.33 Å) Cd(2)-O(4) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. The Te(1)-O(2) bond length is 1.91 Å. The Te(1)-O(3) bond length is 1.89 Å. The Te(1)-O(6) bond length is 1.87 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Te(2)-O(1) bond length is 1.88 Å. The Te(2)-O(4) bond length is 1.93 Å. The Te(2)-O(5) bond length is 1.89 Å. The Te(2)-O(6) bond length is 2.53 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Te(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Cd(2), one Te(1), and one Te(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Te(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one Te(1) atom. In the sixth O site, O(4) is bonded to one Cd(1), two equivalent Cd(2), and one Te(2) atom to form corner-sharing OCd3Te tetrahedra.