NaNi2(MoO5)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Mo(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-64°. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent Ni(1) atoms.
NaNi2(MoO5)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Both Na(1)-O(1) bond lengths are 2.81 Å. All Na(1)-O(3) bond lengths are 2.40 Å. Mo(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-64°. The Mo(1)-O(1) bond length is 1.73 Å. The Mo(1)-O(2) bond length is 1.86 Å. Both Mo(1)-O(3) bond lengths are 1.82 Å. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. Both Ni(1)-O(2) bond lengths are 2.11 Å. Both Ni(1)-O(3) bond lengths are 2.00 Å. Both Ni(1)-O(4) bond lengths are 1.82 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent Ni(1) atoms.