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Title: Materials Data on LiAgO2 by Materials Project

Abstract

LiAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2AgO tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. In the second Ag3+ site, Ag3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ag3+, and one O2- atom to form distorted OLi2AgO tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with seven OLi2AgO tetrahedra. The O–O bond length is 1.48 Å. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form OLi2Ag2 tetrahedra that share corners with eight OLi2AgO tetrahedra and edges with two equivalent OLi2Ag2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-996989
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; LiAgO2; Ag-Li-O
OSTI Identifier:
1317107
DOI:
https://doi.org/10.17188/1317107

Citation Formats

The Materials Project. Materials Data on LiAgO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317107.
The Materials Project. Materials Data on LiAgO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317107
The Materials Project. 2020. "Materials Data on LiAgO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317107. https://www.osti.gov/servlets/purl/1317107. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1317107,
title = {Materials Data on LiAgO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2AgO tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. In the second Ag3+ site, Ag3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ag3+, and one O2- atom to form distorted OLi2AgO tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with seven OLi2AgO tetrahedra. The O–O bond length is 1.48 Å. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form OLi2Ag2 tetrahedra that share corners with eight OLi2AgO tetrahedra and edges with two equivalent OLi2Ag2 tetrahedra.},
doi = {10.17188/1317107},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}