Rb3LiTbV2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), one O(7), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. Li(1) is bonded in a 3-coordinate geometry to one Rb(3), one O(1), one O(2), and one O(7) atom. Tb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TbO6 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(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(3), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one Rb(3), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Rb(1), two equivalent Rb(2), one Li(1), one Tb(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom.
Rb3LiTbV2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), one O(7), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. The Rb(1)-O(1) bond length is 2.82 Å. The Rb(1)-O(3) bond length is 3.23 Å. The Rb(1)-O(5) bond length is 3.25 Å. The Rb(1)-O(7) bond length is 3.42 Å. There is one shorter (3.08 Å) and one longer (3.15 Å) Rb(1)-O(4) bond length. There is one shorter (3.09 Å) and one longer (3.12 Å) Rb(1)-O(6) bond length. There is one shorter (3.06 Å) and one longer (3.10 Å) Rb(1)-O(8) bond length. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. The Rb(2)-O(2) bond length is 2.94 Å. The Rb(2)-O(4) bond length is 3.29 Å. The Rb(2)-O(6) bond length is 3.21 Å. The Rb(2)-O(8) bond length is 3.21 Å. There is one shorter (2.95 Å) and one longer (3.28 Å) Rb(2)-O(3) bond length. There is one shorter (2.97 Å) and one longer (3.24 Å) Rb(2)-O(5) bond length. There is one shorter (3.00 Å) and one longer (3.14 Å) Rb(2)-O(7) bond length. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. The Rb(3)-Li(1) bond length is 3.00 Å. The Rb(3)-O(1) bond length is 2.82 Å. The Rb(3)-O(2) bond length is 3.22 Å. The Rb(3)-O(3) bond length is 3.11 Å. The Rb(3)-O(4) bond length is 3.09 Å. The Rb(3)-O(6) bond length is 3.09 Å. The Rb(3)-O(8) bond length is 2.90 Å. Li(1) is bonded in a 3-coordinate geometry to one Rb(3), one O(1), one O(2), and one O(7) atom. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(2) bond length is 1.89 Å. The Li(1)-O(7) bond length is 1.98 Å. Tb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. The Tb(1)-O(3) bond length is 2.21 Å. The Tb(1)-O(4) bond length is 2.43 Å. The Tb(1)-O(5) bond length is 2.19 Å. The Tb(1)-O(6) bond length is 2.42 Å. The Tb(1)-O(7) bond length is 2.23 Å. The Tb(1)-O(8) bond length is 2.44 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. The V(1)-O(1) bond length is 1.76 Å. The V(1)-O(3) bond length is 1.84 Å. The V(1)-O(5) bond length is 1.82 Å. The V(1)-O(7) bond length is 1.89 Å. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. The V(2)-O(2) bond length is 1.73 Å. The V(2)-O(4) bond length is 1.76 Å. The V(2)-O(6) bond length is 1.77 Å. The V(2)-O(8) bond length is 1.76 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(3), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one Rb(3), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Rb(1), two equivalent Rb(2), one Li(1), one Tb(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Tb(1), and one V(2) atom.