Materials Data on ZrTi by Materials Project

Abstract

TiZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr is bonded to six equivalent Zr and six equivalent Ti atoms to form ZrZr6Ti6 cuboctahedra that share corners with eighteen equivalent ZrZr6Ti6 cuboctahedra, edges with six equivalent ZrZr6Ti6 cuboctahedra, edges with twelve equivalent TiZr6Ti6 cuboctahedra, faces with eight equivalent ZrZr6Ti6 cuboctahedra, and faces with twelve equivalent TiZr6Ti6 cuboctahedra. All Zr–Zr bond lengths are 3.11 Å. All Zr–Ti bond lengths are 3.05 Å. Ti is bonded to six equivalent Zr and six equivalent Ti atoms to form TiZr6Ti6 cuboctahedra that share corners with eighteen equivalent TiZr6Ti6 cuboctahedra, edges with six equivalent TiZr6Ti6 cuboctahedra, edges with twelve equivalent ZrZr6Ti6 cuboctahedra, faces with eight equivalent TiZr6Ti6 cuboctahedra, and faces with twelve equivalent ZrZr6Ti6 cuboctahedra. All Ti–Ti bond lengths are 3.11 Å.