MgNiHO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one H(1), one O(2), and two equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one Ni(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mg(1), two equivalent Ni(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Ni(1) atom to form corner-sharing OMg3Ni tetrahedra.
MgNiHO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Both Mg(1)-O(1) bond lengths are 2.25 Å. There is one shorter (1.98 Å) and two longer (2.00 Å) Mg(1)-O(2) bond lengths. Ni(1) is bonded in a 4-coordinate geometry to one H(1), one O(2), and two equivalent O(1) atoms. The Ni(1)-H(1) bond length is 2.07 Å. The Ni(1)-O(2) bond length is 1.88 Å. Both Ni(1)-O(1) bond lengths are 2.13 Å. H(1) is bonded in a single-bond geometry to one Ni(1) and one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mg(1), two equivalent Ni(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Ni(1) atom to form corner-sharing OMg3Ni tetrahedra.