Hf(CuP)2 crystallizes in the trigonal P-3m1 space group. Hf(1) is bonded to six equivalent P(1) atoms to form HfP6 octahedra that share corners with twelve equivalent Cu(1)P4 tetrahedra, edges with six equivalent Hf(1)P6 octahedra, and edges with six equivalent Cu(1)P4 tetrahedra. Cu(1) is bonded to four equivalent P(1) atoms to form distorted CuP4 tetrahedra that share corners with six equivalent Hf(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Hf(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. P(1) is bonded to three equivalent Hf(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing PHf3Cu4 pentagonal bipyramids.
Hf(CuP)2 crystallizes in the trigonal P-3m1 space group. Hf(1) is bonded to six equivalent P(1) atoms to form HfP6 octahedra that share corners with twelve equivalent Cu(1)P4 tetrahedra, edges with six equivalent Hf(1)P6 octahedra, and edges with six equivalent Cu(1)P4 tetrahedra. All Hf(1)-P(1) bond lengths are 2.65 Å. Cu(1) is bonded to four equivalent P(1) atoms to form distorted CuP4 tetrahedra that share corners with six equivalent Hf(1)P6 octahedra, corners with six equivalent Cu(1)P4 tetrahedra, edges with three equivalent Hf(1)P6 octahedra, and edges with three equivalent Cu(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. There are three shorter (2.29 Å) and one longer (2.39 Å) Cu(1)-P(1) bond length. P(1) is bonded to three equivalent Hf(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing PHf3Cu4 pentagonal bipyramids.