BaMgV2Ni3(HO5)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Mg(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Mg(1), one V(1), and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one V(1), and one H(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one H(1) atom to form distorted corner-sharing ONi3H tetrahedra.
BaMgV2Ni3(HO5)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 3.09 Å. Both Ba(1)-O(3) bond lengths are 3.17 Å. All Ba(1)-O(1) bond lengths are 2.96 Å. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. Both Mg(1)-O(2) bond lengths are 2.07 Å. All Mg(1)-O(1) bond lengths are 2.12 Å. V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The V(1)-O(2) bond length is 1.92 Å. The V(1)-O(3) bond length is 1.72 Å. Both V(1)-O(1) bond lengths are 1.89 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. Both Ni(1)-O(4) bond lengths are 1.92 Å. All Ni(1)-O(1) bond lengths are 2.27 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. Both Ni(2)-O(1) bond lengths are 2.28 Å. Both Ni(2)-O(2) bond lengths are 2.19 Å. Both Ni(2)-O(4) bond lengths are 1.94 Å. H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. The H(1)-O(3) bond length is 1.53 Å. The H(1)-O(4) bond length is 1.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Mg(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Mg(1), one V(1), and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one V(1), and one H(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one H(1) atom to form distorted corner-sharing ONi3H tetrahedra.