IrAsSe crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form IrAs3Se3 octahedra that share corners with twelve equivalent Ir(1)As3Se3 octahedra, corners with three equivalent As(1)Ir3Se tetrahedra, and corners with three equivalent Se(1)AsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. As(1) is bonded to three equivalent Ir(1) and one Se(1) atom to form distorted AsIr3Se tetrahedra that share corners with three equivalent Ir(1)As3Se3 octahedra, corners with six equivalent As(1)Ir3Se tetrahedra, and corners with nine equivalent Se(1)AsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. Se(1) is bonded to three equivalent Ir(1) and one As(1) atom to form SeAsIr3 tetrahedra that share corners with three equivalent Ir(1)As3Se3 octahedra, corners with six equivalent Se(1)AsIr3 tetrahedra, and corners with nine equivalent As(1)Ir3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.
IrAsSe crystallizes in the cubic P2_13 space group. Ir(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form IrAs3Se3 octahedra that share corners with twelve equivalent Ir(1)As3Se3 octahedra, corners with three equivalent As(1)Ir3Se tetrahedra, and corners with three equivalent Se(1)AsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ir(1)-As(1) bond lengths are 2.46 Å. All Ir(1)-Se(1) bond lengths are 2.52 Å. As(1) is bonded to three equivalent Ir(1) and one Se(1) atom to form distorted AsIr3Se tetrahedra that share corners with three equivalent Ir(1)As3Se3 octahedra, corners with six equivalent As(1)Ir3Se tetrahedra, and corners with nine equivalent Se(1)AsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As(1)-Se(1) bond length is 2.44 Å. Se(1) is bonded to three equivalent Ir(1) and one As(1) atom to form SeAsIr3 tetrahedra that share corners with three equivalent Ir(1)As3Se3 octahedra, corners with six equivalent Se(1)AsIr3 tetrahedra, and corners with nine equivalent As(1)Ir3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.