Li2BaV2MnO8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1) and three O(2,2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 64-65°. Ba(1) is bonded to six equivalent O(1) and six O(2,2,2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent Li(1)O4 tetrahedra, edges with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. V(1) is bonded to one O(1) and three O(2,2,2) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. Mn(1) is bonded to six O(2,2,2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1), three equivalent Ba(1), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom.
Li2BaV2MnO8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1) and three O(2,2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 64-65°. The Li(1)-O(1) bond length is 2.04 Å. There are two shorter (2.00 Å) and one longer (2.01 Å) Li(1)-O(2,2,2) bond length. Ba(1) is bonded to six equivalent O(1) and six O(2,2,2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent Li(1)O4 tetrahedra, edges with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.09 Å. All Ba(1)-O(2,2,2) bond lengths are 2.90 Å. V(1) is bonded to one O(1) and three O(2,2,2) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. The V(1)-O(1) bond length is 1.73 Å. There is one shorter (1.75 Å) and two longer (1.76 Å) V(1)-O(2,2,2) bond lengths. Mn(1) is bonded to six O(2,2,2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are a spread of Mn(1)-O(2,2,2) bond distances ranging from 2.19-2.21 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1), three equivalent Ba(1), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one V(1), and one Mn(1) atom.