Materials Data on PaTi by Materials Project

Abstract

PaTi is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pa is bonded to six equivalent Pa and six equivalent Ti atoms to form PaPa6Ti6 cuboctahedra that share corners with eighteen equivalent PaPa6Ti6 cuboctahedra, edges with six equivalent PaPa6Ti6 cuboctahedra, edges with twelve equivalent TiPa6Ti6 cuboctahedra, faces with eight equivalent PaPa6Ti6 cuboctahedra, and faces with twelve equivalent TiPa6Ti6 cuboctahedra. All Pa–Pa bond lengths are 3.07 Å. All Pa–Ti bond lengths are 3.12 Å. Ti is bonded to six equivalent Pa and six equivalent Ti atoms to form TiPa6Ti6 cuboctahedra that share corners with eighteen equivalent TiPa6Ti6 cuboctahedra, edges with six equivalent TiPa6Ti6 cuboctahedra, edges with twelve equivalent PaPa6Ti6 cuboctahedra, faces with eight equivalent TiPa6Ti6 cuboctahedra, and faces with twelve equivalent PaPa6Ti6 cuboctahedra. All Ti–Ti bond lengths are 3.07 Å.