Zn3(PO6)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to two equivalent O(3) and two equivalent O(6) atoms. 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 ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Zn(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(2) 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(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one O(5) atom.
Zn3(PO6)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to two equivalent O(3) and two equivalent O(6) atoms. Both Zn(1)-O(3) bond lengths are 1.85 Å. Both Zn(1)-O(6) bond lengths are 2.60 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 ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Zn(2)-O(1) bond length is 1.98 Å. The Zn(2)-O(2) bond length is 1.94 Å. The Zn(2)-O(3) bond length is 2.10 Å. The Zn(2)-O(4) bond length is 1.94 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Zn(2)O4 tetrahedra. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.64 Å. The P(1)-O(4) bond length is 1.53 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(2) 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(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(6) atom. The O(5)-O(6) bond length is 1.23 Å. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one O(5) atom.