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Title: Materials Data on NaMgF3 by Materials Project

Abstract

NaMgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.74 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Mg–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Mg2+ atoms to form distorted corner-sharing FNa2Mg2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-2955
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; NaMgF3; F-Mg-Na
OSTI Identifier:
1204006
DOI:
https://doi.org/10.17188/1204006

Citation Formats

The Materials Project. Materials Data on NaMgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204006.
The Materials Project. Materials Data on NaMgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1204006
The Materials Project. 2020. "Materials Data on NaMgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1204006. https://www.osti.gov/servlets/purl/1204006. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204006,
title = {Materials Data on NaMgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.74 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Mg–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Mg2+ atoms to form distorted corner-sharing FNa2Mg2 tetrahedra.},
doi = {10.17188/1204006},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}