U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-998358
- 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; 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}
}