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Title: Materials Data on LiZnO2 by Materials Project

Abstract

LiZnO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.10 Å) and two longer (2.29 Å) Li–O bond lengths. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent ZnO6 octahedra, edges with four equivalent ZnO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (1.99 Å) and four longer (2.10 Å) Zn–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edgemore » and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (2.10 Å) and one longer (2.29 Å) O–Li bond lengths. There are one shorter (1.99 Å) and two longer (2.10 Å) O–Zn bond lengths. In the third O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are one shorter (1.99 Å) and two longer (2.10 Å) O–Zn bond lengths. In the fourth O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.« less

Publication Date:
Other Number(s):
mp-760408
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; LiZnO2; Li-O-Zn
OSTI Identifier:
1291628
DOI:
https://doi.org/10.17188/1291628

Citation Formats

The Materials Project. Materials Data on LiZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291628.
The Materials Project. Materials Data on LiZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1291628
The Materials Project. 2020. "Materials Data on LiZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1291628. https://www.osti.gov/servlets/purl/1291628. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291628,
title = {Materials Data on LiZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiZnO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.10 Å) and two longer (2.29 Å) Li–O bond lengths. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent ZnO6 octahedra, edges with four equivalent ZnO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (1.99 Å) and four longer (2.10 Å) Zn–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (2.10 Å) and one longer (2.29 Å) O–Li bond lengths. There are one shorter (1.99 Å) and two longer (2.10 Å) O–Zn bond lengths. In the third O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are one shorter (1.99 Å) and two longer (2.10 Å) O–Zn bond lengths. In the fourth O site, O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.},
doi = {10.17188/1291628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}