BaSrV4(CuO4)4 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent V(2)O4 tetrahedra and edges with four equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one V(2), and two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), one V(1), and one Cu(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom.
BaSrV4(CuO4)4 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent V(2)O4 tetrahedra and edges with four equivalent V(1)O4 tetrahedra. All Ba(1)-O(1) bond lengths are 2.79 Å. All Ba(1)-O(2) bond lengths are 3.12 Å. All Ba(1)-O(3) bond lengths are 2.91 Å. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. All Sr(1)-O(1) bond lengths are 3.03 Å. All Sr(1)-O(2) bond lengths are 2.68 Å. All Sr(1)-O(4) bond lengths are 3.18 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. Both V(1)-O(1) bond lengths are 1.76 Å. Both V(1)-O(3) bond lengths are 1.75 Å. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra. Both V(2)-O(2) bond lengths are 1.71 Å. Both V(2)-O(4) bond lengths are 1.80 Å. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. The Cu(1)-O(1) bond length is 1.98 Å. The Cu(1)-O(2) bond length is 2.31 Å. The Cu(1)-O(3) bond length is 1.93 Å. There is one shorter (1.94 Å) and one longer (2.01 Å) Cu(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one V(2), and two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), one V(1), and one Cu(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom.