CaV4O10 crystallizes in the orthorhombic Pmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent V(2) atoms to form corner-sharing OCa2V2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one V(2) atom.
CaV4O10 crystallizes in the orthorhombic Pmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. Both Ca(1)-O(1) bond lengths are 2.35 Å. Both Ca(1)-O(4) bond lengths are 2.62 Å. All Ca(1)-O(6) bond lengths are 2.55 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. The V(1)-O(2) bond length is 1.81 Å. The V(1)-O(4) bond length is 2.03 Å. The V(1)-O(5) bond length is 1.60 Å. Both V(1)-O(3) bond lengths are 1.92 Å. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. The V(2)-O(1) bond length is 1.95 Å. The V(2)-O(3) bond length is 2.00 Å. The V(2)-O(6) bond length is 1.69 Å. Both V(2)-O(4) bond lengths are 1.96 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent V(2) atoms to form corner-sharing OCa2V2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one V(2) atom.