CsZn4(BO3)3 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cs(1), one Zn(1), one Zn(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Zn(2), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Zn(1), one Zn(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one B(2) atom.
CsZn4(BO3)3 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. Both Cs(1)-O(1) bond lengths are 3.50 Å. Both Cs(1)-O(2) bond lengths are 3.58 Å. Both Cs(1)-O(3) bond lengths are 3.15 Å. There are two shorter (3.14 Å) and two longer (3.28 Å) Cs(1)-O(5) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 1.95 Å. The Zn(1)-O(3) bond length is 2.02 Å. The Zn(1)-O(4) bond length is 2.03 Å. The Zn(1)-O(5) bond length is 1.93 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(1) bond length is 1.97 Å. The Zn(2)-O(2) bond length is 2.01 Å. The Zn(2)-O(3) bond length is 1.97 Å. The Zn(2)-O(4) bond length is 2.00 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. The B(1)-O(2) bond length is 1.40 Å. Both B(1)-O(4) bond lengths are 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(2)-O(1) bond length is 1.40 Å. The B(2)-O(3) bond length is 1.42 Å. The B(2)-O(5) bond length is 1.35 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cs(1), one Zn(1), one Zn(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Zn(2), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Zn(1), one Zn(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one B(2) atom.