DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrLiAlSb2 by Materials Project

Abstract

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-more » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1218153
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrLiAlSb2; Al-Li-Sb-Sr
OSTI Identifier:
1706002
DOI:
https://doi.org/10.17188/1706002

Citation Formats

The Materials Project. Materials Data on SrLiAlSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706002.
The Materials Project. Materials Data on SrLiAlSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1706002
The Materials Project. 2020. "Materials Data on SrLiAlSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1706002. https://www.osti.gov/servlets/purl/1706002. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706002,
title = {Materials Data on SrLiAlSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1706002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}