Materials Data on SrLiAlSb2 by Materials Project
LiSrAlSb2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Li1+ is bonded to four Sb3- atoms to form LiSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent AlSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–50°. There are three shorter (2.77 Å) and one longer (2.90 Å) Li–Sb bond lengths. Sr2+ is bonded to six Sb3- atoms to form SrSb6 octahedra that share corners with six equivalent LiSb4 tetrahedra, corners with six equivalent AlSb4 tetrahedra, edges with six equivalent SrSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and edges with three equivalent AlSb4 tetrahedra. There are three shorter (3.26 Å) and three longer (3.49 Å) Sr–Sb bond lengths. Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent AlSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent LiSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. There are one shorter (2.63 Å) and three longer (2.85 Å) Al–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to three equivalent Li1+, three equivalent Sr2+, and one Al3+ atom. In the second Sb3- site, Sb3- is bonded to one Li1+, three equivalent Sr2+, and three equivalent Al3+ atoms to form distorted edge-sharing SbSr3LiAl3 pentagonal bipyramids.