Materials Data on LaCeSn6 by Materials Project

Abstract

CeLaSn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Sn atoms to form CeSn12 cuboctahedra that share corners with four equivalent CeSn12 cuboctahedra, corners with eight equivalent LaSn12 cuboctahedra, faces with two equivalent LaSn12 cuboctahedra, and faces with four equivalent CeSn12 cuboctahedra. There are eight shorter (3.35 Å) and four longer (3.37 Å) Ce–Sn bond lengths. La is bonded to twelve Sn atoms to form LaSn12 cuboctahedra that share corners with four equivalent LaSn12 cuboctahedra, corners with eight equivalent CeSn12 cuboctahedra, faces with two equivalent CeSn12 cuboctahedra, and faces with four equivalent LaSn12 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.40 Å) La–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce and two equivalent La atoms.