Bi2TeO6 crystallizes in the orthorhombic Cmce space group. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(1) and four equivalent O(3) atoms. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the third O site, O(3) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.
Bi2TeO6 crystallizes in the orthorhombic Cmce space group. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(1) and four equivalent O(3) atoms. The Bi(1)-O(1) bond length is 2.45 Å. There are two shorter (2.25 Å) and two longer (2.34 Å) Bi(1)-O(3) bond lengths. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 28°. Both Te(1)-O(1) bond lengths are 1.87 Å. All Te(1)-O(2) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the third O site, O(3) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.