Materials Data on AcLa3 by Materials Project

Abstract

AcLa3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with six equivalent AcLa12 cuboctahedra, corners with twelve LaAc4La8 cuboctahedra, edges with eighteen LaAc4La8 cuboctahedra, faces with eight equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra. There are six shorter (3.82 Å) and six longer (3.85 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen equivalent LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.75–3.89 Å. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra.