Materials Data on Sc3P by Materials Project
Sc3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent P atoms to form distorted ScSc8P4 cuboctahedra that share corners with twelve equivalent ScSc8P4 cuboctahedra, edges with eight equivalent ScSc8P4 cuboctahedra, edges with eight equivalent PSc12 cuboctahedra, faces with four equivalent PSc12 cuboctahedra, and faces with ten equivalent ScSc8P4 cuboctahedra. There are four shorter (2.88 Å) and four longer (3.12 Å) Sc–Sc bond lengths. All Sc–P bond lengths are 3.12 Å. In the second Sc site, Sc is bonded in a square co-planar geometry to eight equivalent Sc and four equivalent P atoms. All Sc–P bond lengths are 2.88 Å. P is bonded to twelve Sc atoms to form PSc12 cuboctahedra that share corners with four equivalent PSc12 cuboctahedra, edges with eight equivalent PSc12 cuboctahedra, edges with sixteen equivalent ScSc8P4 cuboctahedra, faces with four equivalent PSc12 cuboctahedra, and faces with eight equivalent ScSc8P4 cuboctahedra.