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Title: Materials Data on MgAgF3 by Materials Project

Abstract

AgMgF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There is four shorter (1.99 Å) and two longer (2.00 Å) Mg–F bond length. Ag1+ is bonded to twelve F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.79–2.86 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms.

Publication Date:
Other Number(s):
mp-998358
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; MgAgF3; Ag-F-Mg
OSTI Identifier:
1317311
DOI:
https://doi.org/10.17188/1317311

Citation Formats

The Materials Project. Materials Data on MgAgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317311.
The Materials Project. Materials Data on MgAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1317311
The Materials Project. 2020. "Materials Data on MgAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1317311. https://www.osti.gov/servlets/purl/1317311. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1317311,
title = {Materials Data on MgAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgMgF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There is four shorter (1.99 Å) and two longer (2.00 Å) Mg–F bond length. Ag1+ is bonded to twelve F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.79–2.86 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1317311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}