Ni3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom.
Ni3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. The Ni(1)-O(4) bond length is 1.83 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) Ni(1)-O(1) bond length. There is one shorter (1.93 Å) and one longer (1.97 Å) Ni(1)-O(2) bond length. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. The Ni(2)-O(3) bond length is 1.91 Å. Both Ni(2)-O(1) bond lengths are 1.90 Å. Both Ni(2)-O(2) bond lengths are 1.87 Å. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Zn(1)-O(3) bond length is 2.09 Å. Both Zn(1)-O(1) bond lengths are 2.15 Å. Both Zn(1)-O(2) bond lengths are 2.48 Å. Both Zn(1)-O(4) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom.