NaLaV4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent V(1) atoms.
NaLaV4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Both Na(1)-O(3) bond lengths are 2.44 Å. All Na(1)-O(1) bond lengths are 2.70 Å. There are two shorter (2.77 Å) and two longer (2.84 Å) Na(1)-O(5) bond lengths. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Both La(1)-O(2) bond lengths are 2.40 Å. All La(1)-O(1) bond lengths are 2.56 Å. There are two shorter (2.66 Å) and two longer (2.97 Å) La(1)-O(4) bond lengths. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The V(1)-O(1) bond length is 1.68 Å. The V(1)-O(2) bond length is 1.90 Å. The V(1)-O(3) bond length is 1.85 Å. The V(1)-O(4) bond length is 1.94 Å. The V(1)-O(5) bond length is 1.84 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent V(1) atoms.