BiTeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Bi(1), one Bi(2), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Te(1) atom.
BiTeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. The Bi(1)-O(1) bond length is 2.39 Å. The Bi(1)-O(2) bond length is 2.24 Å. The Bi(1)-O(3) bond length is 2.30 Å. The Bi(1)-O(4) bond length is 2.21 Å. The Bi(1)-O(5) bond length is 2.70 Å. The Bi(1)-O(8) bond length is 2.38 Å. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Bi(2)-O(1) bond length is 2.45 Å. The Bi(2)-O(2) bond length is 2.35 Å. The Bi(2)-O(3) bond length is 2.42 Å. The Bi(2)-O(4) bond length is 2.50 Å. The Bi(2)-O(5) bond length is 2.63 Å. The Bi(2)-O(6) bond length is 2.70 Å. The Bi(2)-O(7) bond length is 2.37 Å. The Bi(2)-O(8) bond length is 2.39 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. The Te(1)-O(2) bond length is 1.94 Å. The Te(1)-O(5) bond length is 2.40 Å. The Te(1)-O(6) bond length is 1.98 Å. The Te(1)-O(7) bond length is 2.48 Å. The Te(1)-O(8) bond length is 1.89 Å. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Te(2)-O(1) bond length is 1.91 Å. The Te(2)-O(3) bond length is 1.93 Å. The Te(2)-O(4) bond length is 1.92 Å. The Te(2)-O(5) bond length is 1.93 Å. The Te(2)-O(6) bond length is 2.00 Å. The Te(2)-O(7) bond length is 1.92 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Bi(1), one Bi(2), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Te(1) atom.