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 to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent P(1)O4 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 ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. 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 bent 120 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 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 Zn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Zn(1) 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 to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. Both Zn(1)-O(3) bond lengths are 2.12 Å. Both Zn(1)-O(5) bond lengths are 2.07 Å. Both Zn(1)-O(6) bond lengths are 2.10 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  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Zn(2)-O(1) bond length is 1.96 Å. The Zn(2)-O(2) bond length is 1.99 Å. The Zn(2)-O(3) bond length is 1.99 Å. The Zn(2)-O(4) bond length is 1.95 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  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.57 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 bent 120 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 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 Zn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Zn(1) atom.