Ni3Zn(B2O5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing NiO6 octahedra. Zn(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted ZnO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one B(1) atom to form distorted corner-sharing OZnNi2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(3), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Ni(2), two equivalent Ni(3), and one B(4) atom to form distorted corner-sharing ONi3B trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one B(4) atom.
Ni3Zn(B2O5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The Ni(1)-O(7) bond length is 2.05 Å. The Ni(1)-O(9) bond length is 2.13 Å. There is one shorter (2.09 Å) and one longer (2.14 Å) Ni(1)-O(1) bond length. There is one shorter (2.07 Å) and one longer (2.13 Å) Ni(1)-O(10) bond length. In the second Ni site, Ni(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form edge-sharing NiO6 octahedra. The Ni(2)-O(10) bond length is 2.13 Å. The Ni(2)-O(8) bond length is 2.07 Å. There is one shorter (2.11 Å) and one longer (2.15 Å) Ni(2)-O(2) bond length. There is one shorter (2.06 Å) and one longer (2.11 Å) Ni(2)-O(9) bond length. In the third Ni site, Ni(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing NiO6 octahedra. The Ni(3)-O(2) bond length is 2.05 Å. The Ni(3)-O(6) bond length is 2.14 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Ni(3)-O(3) bond length. There is one shorter (2.18 Å) and one longer (2.23 Å) Ni(3)-O(8) bond length. Zn(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted ZnO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The Zn(1)-O(1) bond length is 2.07 Å. The Zn(1)-O(5) bond length is 2.19 Å. There is one shorter (1.97 Å) and one longer (2.01 Å) Zn(1)-O(4) bond length. There is one shorter (2.31 Å) and one longer (2.32 Å) Zn(1)-O(7) bond length. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.35 Å. The B(1)-O(5) bond length is 1.42 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. The B(2)-O(2) bond length is 1.38 Å. The B(2)-O(4) bond length is 1.35 Å. The B(2)-O(6) bond length is 1.41 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. The B(3)-O(5) bond length is 1.43 Å. The B(3)-O(7) bond length is 1.35 Å. The B(3)-O(9) bond length is 1.38 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. The B(4)-O(10) bond length is 1.37 Å. The B(4)-O(6) bond length is 1.43 Å. The B(4)-O(8) bond length is 1.36 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one B(1) atom to form distorted corner-sharing OZnNi2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(3), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Ni(2), two equivalent Ni(3), and one B(4) atom to form distorted corner-sharing ONi3B trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one B(4) atom.