skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na4WO5 by Materials Project

Abstract

Na4WO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. The Na–Na bond length is 2.57 Å. There are a spread of Na–O bond distances ranging from 2.10–2.82 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.67 Å. In the third Na1+ site, Na1+ is bonded in a 12-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.85 Å. In the fourth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.72–2.99 Å. In the fifth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two equivalent Na1+, two equivalent W6+, and eight O2- atoms. Both Na–W bond lengths are 2.61 Å. There are a spread of Na–O bond distances ranging from 2.46–2.79 Å. W6+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. There are a spreadmore » of W–O bond distances ranging from 1.81–2.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.15 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to five Na1+, two equivalent W6+, and two equivalent O2- atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-19334
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; Na4WO5; Na-O-W
OSTI Identifier:
1194255
DOI:
10.17188/1194255

Citation Formats

The Materials Project. Materials Data on Na4WO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194255.
The Materials Project. Materials Data on Na4WO5 by Materials Project. United States. doi:10.17188/1194255.
The Materials Project. 2020. "Materials Data on Na4WO5 by Materials Project". United States. doi:10.17188/1194255. https://www.osti.gov/servlets/purl/1194255. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1194255,
title = {Materials Data on Na4WO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4WO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. The Na–Na bond length is 2.57 Å. There are a spread of Na–O bond distances ranging from 2.10–2.82 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.67 Å. In the third Na1+ site, Na1+ is bonded in a 12-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.85 Å. In the fourth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.72–2.99 Å. In the fifth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two equivalent Na1+, two equivalent W6+, and eight O2- atoms. Both Na–W bond lengths are 2.61 Å. There are a spread of Na–O bond distances ranging from 2.46–2.79 Å. W6+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.15 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to five Na1+, two equivalent W6+, and two equivalent O2- atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one W6+ atom.},
doi = {10.17188/1194255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: