IrCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1) and six equivalent Br(1) atoms. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent Br(1) atoms. Br(1) is bonded to six equivalent Ir(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing BrCu4Ir6 tetrahedra.
IrCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1) and six equivalent Br(1) atoms. All Ir(1)-Cu(1) bond lengths are 2.60 Å. All Ir(1)-Br(1) bond lengths are 3.01 Å. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent Br(1) atoms. All Cu(1)-Br(1) bond lengths are 2.60 Å. Br(1) is bonded to six equivalent Ir(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing BrCu4Ir6 tetrahedra.