NiZnP2O7 crystallizes in the triclinic P-1 space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. Zn(1) is bonded to one O(2), one O(3), one O(7), and two equivalent O(5) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-59°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-65°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one P(2) atom.
NiZnP2O7 crystallizes in the triclinic P-1 space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(3) bond length is 2.49 Å. The Ni(1)-O(4) bond length is 2.03 Å. The Ni(1)-O(7) bond length is 2.08 Å. There is one shorter (2.02 Å) and one longer (2.13 Å) Ni(1)-O(6) bond length. Zn(1) is bonded to one O(2), one O(3), one O(7), and two equivalent O(5) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. The Zn(1)-O(2) bond length is 2.14 Å. The Zn(1)-O(3) bond length is 2.04 Å. The Zn(1)-O(7) bond length is 2.13 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Zn(1)-O(5) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-59°. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-65°. The P(2)-O(1) bond length is 1.64 Å. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.50 Å. The P(2)-O(7) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one P(2) atom.