CsInTe3O8 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(6), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second In site, In(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(5) atom. In the third Te site, Te(3) is bonded in a distorted trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one In(2) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one In(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one In(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one In(1), and one Te(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(1), one In(2), and one Te(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cs(1), one In(2), and one Te(3) atom.
CsInTe3O8 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(6), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Cs(1)-O(3) bond length is 3.23 Å. The Cs(1)-O(6) bond length is 3.49 Å. The Cs(1)-O(7) bond length is 3.55 Å. The Cs(1)-O(8) bond length is 3.04 Å. There is one shorter (3.43 Å) and one longer (3.44 Å) Cs(1)-O(2) bond length. There is one shorter (3.16 Å) and one longer (3.77 Å) Cs(1)-O(4) bond length. There is one shorter (3.10 Å) and one longer (3.52 Å) Cs(1)-O(5) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both In(1)-O(4) bond lengths are 2.21 Å. Both In(1)-O(5) bond lengths are 2.19 Å. Both In(1)-O(6) bond lengths are 2.20 Å. In the second In site, In(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. Both In(2)-O(1) bond lengths are 2.21 Å. Both In(2)-O(7) bond lengths are 2.20 Å. Both In(2)-O(8) bond lengths are 2.20 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Te(1)-O(1) bond length is 1.89 Å. The Te(1)-O(2) bond length is 2.12 Å. There is one shorter (1.93 Å) and one longer (2.17 Å) Te(1)-O(3) bond length. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(5) atom. The Te(2)-O(2) bond length is 1.94 Å. The Te(2)-O(4) bond length is 1.89 Å. The Te(2)-O(5) bond length is 1.89 Å. In the third Te site, Te(3) is bonded in a distorted trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. The Te(3)-O(6) bond length is 1.90 Å. The Te(3)-O(7) bond length is 1.91 Å. The Te(3)-O(8) bond length is 1.90 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one In(2) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one In(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one In(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one In(1), and one Te(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(1), one In(2), and one Te(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cs(1), one In(2), and one Te(3) atom.