Cs4ZnO3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Zn(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(4), and one Zn(1) atom.
Cs4ZnO3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. The Cs(1)-O(1) bond length is 2.98 Å. The Cs(1)-O(2) bond length is 3.03 Å. The Cs(1)-O(3) bond length is 3.03 Å. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. The Cs(2)-O(1) bond length is 3.03 Å. The Cs(2)-O(2) bond length is 2.93 Å. The Cs(2)-O(3) bond length is 2.87 Å. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.91 Å) and one longer (3.12 Å) Cs(3)-O(1) bond length. There is one shorter (2.90 Å) and one longer (3.22 Å) Cs(3)-O(2) bond length. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Cs(4)-O(1) bond length is 3.07 Å. The Cs(4)-O(2) bond length is 2.96 Å. There is one shorter (2.90 Å) and one longer (2.98 Å) Cs(4)-O(3) bond length. Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Zn(1)-O(1) bond length is 1.90 Å. The Zn(1)-O(2) bond length is 1.91 Å. The Zn(1)-O(3) bond length is 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Zn(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(4), and one Zn(1) atom.