Ni2ZnO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. In the third Ni site, Ni(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form distorted corner-sharing OZn2Ni2 tetrahedra. In the second O site, O(2) is bonded to one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(3), two equivalent Ni(4), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(4), two equivalent Ni(3), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Zn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2) and two equivalent Zn(2) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Zn(1) atoms.
Ni2ZnO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. The Ni(1)-O(10) bond length is 1.84 Å. The Ni(1)-O(2) bond length is 1.84 Å. The Ni(1)-O(4) bond length is 1.89 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ni(1)-O(3) bond length. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. The Ni(2)-O(1) bond length is 1.84 Å. The Ni(2)-O(3) bond length is 1.89 Å. The Ni(2)-O(9) bond length is 1.84 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ni(2)-O(4) bond length. In the third Ni site, Ni(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. The Ni(3)-O(1) bond length is 1.84 Å. The Ni(3)-O(5) bond length is 1.89 Å. The Ni(3)-O(8) bond length is 1.84 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ni(3)-O(6) bond length. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. The Ni(4)-O(2) bond length is 1.84 Å. The Ni(4)-O(6) bond length is 1.89 Å. The Ni(4)-O(7) bond length is 1.84 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ni(4)-O(5) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. The Zn(1)-O(3) bond length is 2.49 Å. The Zn(1)-O(5) bond length is 2.52 Å. There is one shorter (2.14 Å) and one longer (2.17 Å) Zn(1)-O(10) bond length. Both Zn(1)-O(2) bond lengths are 2.25 Å. There is one shorter (2.14 Å) and one longer (2.18 Å) Zn(1)-O(7) bond length. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms. The Zn(2)-O(4) bond length is 2.49 Å. The Zn(2)-O(6) bond length is 2.51 Å. There is one shorter (2.24 Å) and one longer (2.25 Å) Zn(2)-O(1) bond length. There is one shorter (2.13 Å) and one longer (2.20 Å) Zn(2)-O(8) bond length. There is one shorter (2.12 Å) and one longer (2.20 Å) Zn(2)-O(9) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form distorted corner-sharing OZn2Ni2 tetrahedra. In the second O site, O(2) is bonded to one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(3), two equivalent Ni(4), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(4), two equivalent Ni(3), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Zn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2) and two equivalent Zn(2) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Zn(1) atoms.