RbTaV2O8 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(6) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-31°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Rb(1), one Ta(1), and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1) and one V(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Ta(1), and one V(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Ta(1), and one V(2) atom.
RbTaV2O8 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(6) atoms. The Rb(1)-O(5) bond length is 2.98 Å. Both Rb(1)-O(1) bond lengths are 3.42 Å. Both Rb(1)-O(2) bond lengths are 3.18 Å. Both Rb(1)-O(3) bond lengths are 3.48 Å. There is one shorter (2.96 Å) and two longer (3.17 Å) Rb(1)-O(6) bond lengths. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. The Ta(1)-O(3) bond length is 1.99 Å. The Ta(1)-O(4) bond length is 1.98 Å. Both Ta(1)-O(1) bond lengths are 2.00 Å. Both Ta(1)-O(2) bond lengths are 1.99 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. The V(1)-O(3) bond length is 1.79 Å. The V(1)-O(5) bond length is 1.64 Å. Both V(1)-O(1) bond lengths are 1.78 Å. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-31°. The V(2)-O(4) bond length is 1.76 Å. The V(2)-O(6) bond length is 1.65 Å. Both V(2)-O(2) bond lengths are 1.78 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Rb(1), one Ta(1), and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1) and one V(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Ta(1), and one V(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Ta(1), and one V(2) atom.