Na3VBAsO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one V(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one As(1) atom.
Na3VBAsO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. The Na(1)-O(1) bond length is 2.37 Å. The Na(1)-O(2) bond length is 2.33 Å. The Na(1)-O(3) bond length is 2.79 Å. Both Na(1)-O(6) bond lengths are 2.57 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Na(2)-O(1) bond length is 2.26 Å. The Na(2)-O(2) bond length is 2.54 Å. The Na(2)-O(3) bond length is 2.36 Å. The Na(2)-O(4) bond length is 2.78 Å. The Na(2)-O(5) bond length is 2.41 Å. The Na(2)-O(6) bond length is 2.54 Å. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. The V(1)-O(2) bond length is 2.07 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(4) bond length is 2.15 Å. The V(1)-O(5) bond length is 2.06 Å. Both V(1)-O(6) bond lengths are 2.06 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.35 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.43 Å. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. The As(1)-O(4) bond length is 1.72 Å. The As(1)-O(5) bond length is 1.72 Å. Both As(1)-O(6) bond lengths are 1.73 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one V(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one V(1), and one As(1) atom.