PY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Y(1), four equivalent Y(2), and four equivalent P(1) atoms to form distorted YY8P4 cuboctahedra that share corners with twelve equivalent Y(1)Y8P4 cuboctahedra, edges with eight equivalent Y(1)Y8P4 cuboctahedra, edges with eight equivalent P(1)Y12 cuboctahedra, faces with four equivalent P(1)Y12 cuboctahedra, and faces with ten equivalent Y(1)Y8P4 cuboctahedra. In the second Y site, Y(2) is bonded in a square co-planar geometry to eight equivalent Y(1) and four equivalent P(1) atoms. P(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form PY12 cuboctahedra that share corners with four equivalent P(1)Y12 cuboctahedra, edges with eight equivalent P(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Y8P4 cuboctahedra, faces with four equivalent P(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Y8P4 cuboctahedra.
PY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Y(1), four equivalent Y(2), and four equivalent P(1) atoms to form distorted YY8P4 cuboctahedra that share corners with twelve equivalent Y(1)Y8P4 cuboctahedra, edges with eight equivalent Y(1)Y8P4 cuboctahedra, edges with eight equivalent P(1)Y12 cuboctahedra, faces with four equivalent P(1)Y12 cuboctahedra, and faces with ten equivalent Y(1)Y8P4 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.13 Å. All Y(1)-Y(2) bond lengths are 3.39 Å. All Y(1)-P(1) bond lengths are 3.39 Å. In the second Y site, Y(2) is bonded in a square co-planar geometry to eight equivalent Y(1) and four equivalent P(1) atoms. All Y(2)-P(1) bond lengths are 3.13 Å. P(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form PY12 cuboctahedra that share corners with four equivalent P(1)Y12 cuboctahedra, edges with eight equivalent P(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Y8P4 cuboctahedra, faces with four equivalent P(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Y8P4 cuboctahedra.