Materials Data on LiBeAs by Materials Project
LiBeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent As3- atoms to form distorted LiAs5 trigonal bipyramids that share corners with twelve equivalent BeAs4 tetrahedra, corners with four equivalent LiAs5 trigonal bipyramids, edges with four equivalent BeAs4 tetrahedra, and edges with eight equivalent LiAs5 trigonal bipyramids. There are one shorter (2.67 Å) and four longer (2.76 Å) Li–As bond lengths. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra, corners with twelve equivalent LiAs5 trigonal bipyramids, edges with four equivalent BeAs4 tetrahedra, and edges with four equivalent LiAs5 trigonal bipyramids. All Be–As bond lengths are 2.34 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Be2+ atoms.