LiTb(CuP)2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted LiCu6P6 cuboctahedra that share edges with twelve equivalent Tb(1)Cu6P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Tb(1)Cu6P6 octahedra. Tb(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted TbCu6P6 octahedra that share edges with twelve equivalent Li(1)Cu6P6 cuboctahedra, faces with two equivalent Li(1)Cu6P6 cuboctahedra, and faces with six equivalent Tb(1)Cu6P6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Tb(1), and four equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Tb(1), and four equivalent Cu(1) atoms.
LiTb(CuP)2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted LiCu6P6 cuboctahedra that share edges with twelve equivalent Tb(1)Cu6P6 octahedra, faces with six equivalent Li(1)Cu6P6 cuboctahedra, and faces with two equivalent Tb(1)Cu6P6 octahedra. All Li(1)-Cu(1) bond lengths are 2.54 Å. All Li(1)-P(1) bond lengths are 2.77 Å. Tb(1) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form distorted TbCu6P6 octahedra that share edges with twelve equivalent Li(1)Cu6P6 cuboctahedra, faces with two equivalent Li(1)Cu6P6 cuboctahedra, and faces with six equivalent Tb(1)Cu6P6 octahedra. All Tb(1)-Cu(1) bond lengths are 3.17 Å. All Tb(1)-P(1) bond lengths are 2.88 Å. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Tb(1), and four equivalent P(1) atoms. There are three shorter (2.33 Å) and one longer (2.67 Å) Cu(1)-P(1) bond length. P(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Tb(1), and four equivalent Cu(1) atoms.