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Title: Materials Data on LiAgF2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288620· OSTI ID:1288620

LiAgF2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form a mixture of edge and corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.86–1.88 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form a mixture of edge and corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.86–1.88 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.31–2.88 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.31–2.87 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and three Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Li1+ and four Ag1+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Li1+ and four Ag1+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and three Ag1+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1288620
Report Number(s):
mp-752525
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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