CsZn3(PO4)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with three equivalent Zn(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(3) atom.
CsZn3(PO4)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. The Cs(1)-O(1) bond length is 3.48 Å. The Cs(1)-O(10) bond length is 3.29 Å. The Cs(1)-O(11) bond length is 3.07 Å. The Cs(1)-O(4) bond length is 3.49 Å. The Cs(1)-O(7) bond length is 3.26 Å. The Cs(1)-O(8) bond length is 3.29 Å. The Cs(1)-O(9) bond length is 3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Zn(1)-O(1) bond length is 1.91 Å. The Zn(1)-O(2) bond length is 2.02 Å. The Zn(1)-O(3) bond length is 2.00 Å. The Zn(1)-O(4) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. The Zn(2)-O(5) bond length is 1.95 Å. The Zn(2)-O(6) bond length is 1.93 Å. The Zn(2)-O(7) bond length is 1.99 Å. The Zn(2)-O(8) bond length is 1.95 Å. In the third Zn site, Zn(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The Zn(3)-O(10) bond length is 1.94 Å. The Zn(3)-O(2) bond length is 2.03 Å. The Zn(3)-O(3) bond length is 2.04 Å. The Zn(3)-O(9) bond length is 1.93 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with three equivalent Zn(3)O4 tetrahedra. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(10) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.60 Å. The P(1)-O(9) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The P(2)-O(11) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.59 Å. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(5) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.55 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(3) atom.