Materials Data on Pa3Nb by Materials Project

Abstract

Pa3Nb is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Nb atoms to form distorted PaPa8Nb4 cuboctahedra that share corners with four equivalent NbPa12 cuboctahedra, corners with fourteen equivalent PaPa8Nb4 cuboctahedra, edges with six equivalent NbPa12 cuboctahedra, edges with twelve equivalent PaPa8Nb4 cuboctahedra, faces with four equivalent NbPa12 cuboctahedra, and faces with sixteen equivalent PaPa8Nb4 cuboctahedra. There are a spread of Pa–Pa bond distances ranging from 3.00–3.37 Å. There are two shorter (3.12 Å) and two longer (3.30 Å) Pa–Nb bond lengths. Nb is bonded to twelve equivalent Pa atoms to form NbPa12 cuboctahedra that share corners with six equivalent NbPa12 cuboctahedra, corners with twelve equivalent PaPa8Nb4 cuboctahedra, edges with eighteen equivalent PaPa8Nb4 cuboctahedra, faces with eight equivalent NbPa12 cuboctahedra, and faces with twelve equivalent PaPa8Nb4 cuboctahedra.