Ba2CuH6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded to four equivalent H(1), four equivalent H(2), and four equivalent H(3) atoms to form a mixture of distorted face, corner, and edge-sharing BaH12 cuboctahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent H(2) and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing HBa4 tetrahedra. In the second H site, H(2) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cu(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Cu(1) atom.
Ba2CuH6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded to four equivalent H(1), four equivalent H(2), and four equivalent H(3) atoms to form a mixture of distorted face, corner, and edge-sharing BaH12 cuboctahedra. All Ba(1)-H(1) bond lengths are 2.61 Å. All Ba(1)-H(2) bond lengths are 2.97 Å. There are two shorter (2.95 Å) and two longer (2.96 Å) Ba(1)-H(3) bond lengths. Cu(1) is bonded in a square co-planar geometry to two equivalent H(2) and two equivalent H(3) atoms. Both Cu(1)-H(2) bond lengths are 1.60 Å. Both Cu(1)-H(3) bond lengths are 1.72 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing HBa4 tetrahedra. In the second H site, H(2) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cu(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Cu(1) atom.