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Title: Materials Data on LiAgF3 by Materials Project

Abstract

LiAgF3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Li–F bond distances ranging from 2.04–2.21 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Li–F bond distances ranging from 2.05–2.21 Å. In the third Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Li–F bond distances ranging from 2.05–2.21 Å. In the fourth Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Li–F bond distances ranging from 2.04–2.21 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bondmore » distances ranging from 2.15–2.66 Å. In the second Ag2+ site, Ag2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.15–2.66 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to two Li1+ and two Ag2+ atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to two Li1+ and three Ag2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Li1+ and two Ag2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two Li1+ and two Ag2+ atoms. In the fifth F1- site, F1- is bonded in a 5-coordinate geometry to two Li1+ and three Ag2+ atoms. In the sixth F1- site, F1- is bonded to two Li1+ and two Ag2+ atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-756821
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; LiAgF3; Ag-F-Li
OSTI Identifier:
1290637
DOI:
10.17188/1290637

Citation Formats

The Materials Project. Materials Data on LiAgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290637.
The Materials Project. Materials Data on LiAgF3 by Materials Project. United States. doi:10.17188/1290637.
The Materials Project. 2020. "Materials Data on LiAgF3 by Materials Project". United States. doi:10.17188/1290637. https://www.osti.gov/servlets/purl/1290637. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290637,
title = {Materials Data on LiAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgF3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Li–F bond distances ranging from 2.04–2.21 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Li–F bond distances ranging from 2.05–2.21 Å. In the third Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Li–F bond distances ranging from 2.05–2.21 Å. In the fourth Li1+ site, Li1+ is bonded to six F1- atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Li–F bond distances ranging from 2.04–2.21 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.15–2.66 Å. In the second Ag2+ site, Ag2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.15–2.66 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to two Li1+ and two Ag2+ atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to two Li1+ and three Ag2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Li1+ and two Ag2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two Li1+ and two Ag2+ atoms. In the fifth F1- site, F1- is bonded in a 5-coordinate geometry to two Li1+ and three Ag2+ atoms. In the sixth F1- site, F1- is bonded to two Li1+ and two Ag2+ atoms to form distorted corner-sharing FLi2Ag2 trigonal pyramids.},
doi = {10.17188/1290637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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