BaScCu3Se4 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 Sc(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Sc(1) is bonded to four equivalent Se(1) atoms to form ScSe4 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 Sc(1)Se4 tetrahedra. Se(1) is bonded to one Ba(1), one Sc(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeBaScCu3 trigonal bipyramids.
BaScCu3Se4 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 Sc(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Ba(1)-Se(1) bond lengths are 2.99 Å. Sc(1) is bonded to four equivalent Se(1) atoms to form ScSe4 tetrahedra that share corners with four equivalent Ba(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Sc(1)-Se(1) bond lengths are 2.46 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 Sc(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.65 Å. Se(1) is bonded to one Ba(1), one Sc(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeBaScCu3 trigonal bipyramids.