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Title: Materials Data on Na2CrH2F8 by Materials Project

Abstract

Na2CrH2F8 crystallizes in the monoclinic C2/m 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 2.39–2.57 Å. Cr4+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.84 Å) and two longer (1.92 Å) Cr–F bond length. H1+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.50 Å) H–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Cr4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Cr4+, and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Na1+ and one H1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-973225
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; Na2CrH2F8; Cr-F-H-Na
OSTI Identifier:
1314049
DOI:
https://doi.org/10.17188/1314049

Citation Formats

The Materials Project. Materials Data on Na2CrH2F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314049.
The Materials Project. Materials Data on Na2CrH2F8 by Materials Project. United States. doi:https://doi.org/10.17188/1314049
The Materials Project. 2020. "Materials Data on Na2CrH2F8 by Materials Project". United States. doi:https://doi.org/10.17188/1314049. https://www.osti.gov/servlets/purl/1314049. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1314049,
title = {Materials Data on Na2CrH2F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CrH2F8 crystallizes in the monoclinic C2/m 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 2.39–2.57 Å. Cr4+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.84 Å) and two longer (1.92 Å) Cr–F bond length. H1+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.50 Å) H–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Cr4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Cr4+, and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Na1+ and one H1+ atom.},
doi = {10.17188/1314049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}