PCV2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing VP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent P(1)V6 pentagonal pyramids, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. P(1) is bonded to six equivalent V(1) atoms to form distorted PV6 pentagonal pyramids that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°.
PCV2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to three equivalent C(1) and three equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing VP3C3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. All V(1)-C(1) bond lengths are 2.07 Å. All V(1)-P(1) bond lengths are 2.41 Å. C(1) is bonded to six equivalent V(1) atoms to form CV6 octahedra that share corners with six equivalent P(1)V6 pentagonal pyramids, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. P(1) is bonded to six equivalent V(1) atoms to form distorted PV6 pentagonal pyramids that share corners with six equivalent C(1)V6 octahedra, edges with six equivalent C(1)V6 octahedra, and edges with six equivalent P(1)V6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°.