BaCrCu3Se4 crystallizes in the cubic P-43m space group. Ba(1) is bonded to four equivalent Se(1) atoms to form BaSe4 tetrahedra that share corners with four equivalent Cr(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Cr(1) is bonded to four equivalent Se(1) atoms to form CrSe4 tetrahedra that share corners with four equivalent Ba(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Ba(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Cr(1)Se4 tetrahedra. Se(1) is bonded to one Ba(1), one Cr(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeBaCrCu3 trigonal bipyramids.
BaCrCu3Se4 crystallizes in the cubic P-43m space group. Ba(1) is bonded to four equivalent Se(1) atoms to form BaSe4 tetrahedra that share corners with four equivalent Cr(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Ba(1)-Se(1) bond lengths are 3.00 Å. Cr(1) is bonded to four equivalent Se(1) atoms to form CrSe4 tetrahedra that share corners with four equivalent Ba(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Cr(1)-Se(1) bond lengths are 2.35 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Ba(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Cr(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.58 Å. Se(1) is bonded to one Ba(1), one Cr(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeBaCrCu3 trigonal bipyramids.