TiZnSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(2), one O(4), and one O(7) atom. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(6), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.
TiZnSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. The Ti(1)-O(10) bond length is 2.15 Å. The Ti(1)-O(2) bond length is 2.00 Å. The Ti(1)-O(4) bond length is 1.99 Å. The Ti(1)-O(5) bond length is 1.85 Å. The Ti(1)-O(7) bond length is 2.18 Å. The Ti(1)-O(9) bond length is 1.82 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. The Ti(2)-O(1) bond length is 1.99 Å. The Ti(2)-O(10) bond length is 1.82 Å. The Ti(2)-O(3) bond length is 2.00 Å. The Ti(2)-O(6) bond length is 2.18 Å. The Ti(2)-O(8) bond length is 1.85 Å. The Ti(2)-O(9) bond length is 2.14 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(2), one O(4), and one O(7) atom. The Zn(1)-O(10) bond length is 1.97 Å. The Zn(1)-O(2) bond length is 2.06 Å. The Zn(1)-O(4) bond length is 2.04 Å. The Zn(1)-O(7) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(6), and one O(9) atom. The Zn(2)-O(1) bond length is 2.05 Å. The Zn(2)-O(3) bond length is 2.08 Å. The Zn(2)-O(6) bond length is 1.95 Å. The Zn(2)-O(9) bond length is 1.96 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. The Si(1)-O(1) bond length is 1.65 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(7) bond length is 1.63 Å. The Si(1)-O(8) bond length is 1.64 Å. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. The Si(2)-O(3) bond length is 1.65 Å. The Si(2)-O(4) bond length is 1.65 Å. The Si(2)-O(5) bond length is 1.63 Å. The Si(2)-O(6) bond length is 1.64 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.