LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent P(1) atoms. Zn(1) is bonded to four equivalent Li(1) and six equivalent P(1) atoms to form distorted ZnLi4P6 tetrahedra that share corners with four equivalent P(1)Li4Zn6 tetrahedra, corners with six equivalent Zn(1)Li4P6 tetrahedra, edges with six equivalent P(1)Li4Zn6 tetrahedra, and faces with twelve equivalent Zn(1)Li4P6 tetrahedra. P(1) is bonded to four equivalent Li(1) and six equivalent Zn(1) atoms to form distorted PLi4Zn6 tetrahedra that share corners with four equivalent Zn(1)Li4P6 tetrahedra, corners with six equivalent P(1)Li4Zn6 tetrahedra, edges with six equivalent Zn(1)Li4P6 tetrahedra, and faces with twelve equivalent P(1)Li4Zn6 tetrahedra.
LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent P(1) atoms. All Li(1)-Zn(1) bond lengths are 2.45 Å. All Li(1)-P(1) bond lengths are 2.45 Å. Zn(1) is bonded to four equivalent Li(1) and six equivalent P(1) atoms to form distorted ZnLi4P6 tetrahedra that share corners with four equivalent P(1)Li4Zn6 tetrahedra, corners with six equivalent Zn(1)Li4P6 tetrahedra, edges with six equivalent P(1)Li4Zn6 tetrahedra, and faces with twelve equivalent Zn(1)Li4P6 tetrahedra. All Zn(1)-P(1) bond lengths are 2.83 Å. P(1) is bonded to four equivalent Li(1) and six equivalent Zn(1) atoms to form distorted PLi4Zn6 tetrahedra that share corners with four equivalent Zn(1)Li4P6 tetrahedra, corners with six equivalent P(1)Li4Zn6 tetrahedra, edges with six equivalent Zn(1)Li4P6 tetrahedra, and faces with twelve equivalent P(1)Li4Zn6 tetrahedra.