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Title: Materials Data on Na2CuF4 by Materials Project

Abstract

Na2CuF4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.19 Å) and four longer (2.79 Å) Na–F bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Na1+ atoms to form a mixture of distorted edge and corner-sharing FNa4 tetrahedra. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mp-1147641
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; Na2CuF4; Cu-F-Na
OSTI Identifier:
1727183
DOI:
https://doi.org/10.17188/1727183

Citation Formats

The Materials Project. Materials Data on Na2CuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727183.
The Materials Project. Materials Data on Na2CuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1727183
The Materials Project. 2020. "Materials Data on Na2CuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1727183. https://www.osti.gov/servlets/purl/1727183. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727183,
title = {Materials Data on Na2CuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CuF4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.19 Å) and four longer (2.79 Å) Na–F bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Na1+ atoms to form a mixture of distorted edge and corner-sharing FNa4 tetrahedra. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1727183},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}