Zr2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of face, corner, and edge-sharing ZrSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Sb(1) is bonded to six equivalent Zr(1) atoms to form distorted SbZr6 pentagonal pyramids that share corners with six equivalent P(1)Zr6 octahedra, edges with six equivalent P(1)Zr6 octahedra, and edges with six equivalent Sb(1)Zr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to six equivalent Zr(1) atoms to form PZr6 octahedra that share corners with six equivalent Sb(1)Zr6 pentagonal pyramids, edges with six equivalent P(1)Zr6 octahedra, and edges with six equivalent Sb(1)Zr6 pentagonal pyramids.
Zr2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to three equivalent Sb(1) and three equivalent P(1) atoms to form a mixture of face, corner, and edge-sharing ZrSb3P3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. All Zr(1)-Sb(1) bond lengths are 2.96 Å. All Zr(1)-P(1) bond lengths are 2.61 Å. Sb(1) is bonded to six equivalent Zr(1) atoms to form distorted SbZr6 pentagonal pyramids that share corners with six equivalent P(1)Zr6 octahedra, edges with six equivalent P(1)Zr6 octahedra, and edges with six equivalent Sb(1)Zr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P(1) is bonded to six equivalent Zr(1) atoms to form PZr6 octahedra that share corners with six equivalent Sb(1)Zr6 pentagonal pyramids, edges with six equivalent P(1)Zr6 octahedra, and edges with six equivalent Sb(1)Zr6 pentagonal pyramids.