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Title: Materials Data on LiZnSb by Materials Project

Abstract

LiZnSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Sb3- atoms to form distorted LiSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with nine equivalent ZnSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, edges with three equivalent ZnSb4 tetrahedra, faces with two equivalent LiSb6 octahedra, and faces with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are three shorter (3.03 Å) and three longer (3.28 Å) Li–Sb bond lengths. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with nine equivalent LiSb6 octahedra, corners with twelve equivalent ZnSb4 tetrahedra, edges with three equivalent LiSb6 octahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 13–56°. There are three shorter (2.71 Å) and one longer (2.77 Å) Zn–Sb bond lengths. Sb3- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-9919
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiZnSb; Li-Sb-Zn
OSTI Identifier:
1316980
DOI:
https://doi.org/10.17188/1316980

Citation Formats

The Materials Project. Materials Data on LiZnSb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316980.
The Materials Project. Materials Data on LiZnSb by Materials Project. United States. doi:https://doi.org/10.17188/1316980
The Materials Project. 2020. "Materials Data on LiZnSb by Materials Project". United States. doi:https://doi.org/10.17188/1316980. https://www.osti.gov/servlets/purl/1316980. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316980,
title = {Materials Data on LiZnSb by Materials Project},
author = {The Materials Project},
abstractNote = {LiZnSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Sb3- atoms to form distorted LiSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with nine equivalent ZnSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, edges with three equivalent ZnSb4 tetrahedra, faces with two equivalent LiSb6 octahedra, and faces with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are three shorter (3.03 Å) and three longer (3.28 Å) Li–Sb bond lengths. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with nine equivalent LiSb6 octahedra, corners with twelve equivalent ZnSb4 tetrahedra, edges with three equivalent LiSb6 octahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 13–56°. There are three shorter (2.71 Å) and one longer (2.77 Å) Zn–Sb bond lengths. Sb3- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Zn2+ atoms.},
doi = {10.17188/1316980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}