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Title: Materials Data on Na2CrF4 by Materials Project

Abstract

Na2CrF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.81 Å. Cr2+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There are a spread of Cr–F bond distances ranging from 2.03–2.46 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 Cr2+ atoms. In the second F1- site, F1- is bonded to four equivalent Na1+ and one Cr2+ atom to form a mixture of distorted edge and corner-sharing FNa4Cr trigonal bipyramids.

Publication Date:
Other Number(s):
mp-558383
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; Na2CrF4; Cr-F-Na
OSTI Identifier:
1270314
DOI:
https://doi.org/10.17188/1270314

Citation Formats

The Materials Project. Materials Data on Na2CrF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270314.
The Materials Project. Materials Data on Na2CrF4 by Materials Project. United States. doi:https://doi.org/10.17188/1270314
The Materials Project. 2020. "Materials Data on Na2CrF4 by Materials Project". United States. doi:https://doi.org/10.17188/1270314. https://www.osti.gov/servlets/purl/1270314. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1270314,
title = {Materials Data on Na2CrF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CrF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.81 Å. Cr2+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There are a spread of Cr–F bond distances ranging from 2.03–2.46 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 Cr2+ atoms. In the second F1- site, F1- is bonded to four equivalent Na1+ and one Cr2+ atom to form a mixture of distorted edge and corner-sharing FNa4Cr trigonal bipyramids.},
doi = {10.17188/1270314},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}