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Title: Materials Data on Na2W4O13 by Materials Project

Abstract

Na2W4O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.82 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are a spread of W–O bond distances ranging from 1.79–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 8–21°. There are a spread of W–O bond distances ranging from 1.78–2.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.more » In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two W6+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32533
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; Na2W4O13; Na-O-W
OSTI Identifier:
1206292
DOI:
10.17188/1206292

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2W4O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206292.
Persson, Kristin, & Project, Materials. Materials Data on Na2W4O13 by Materials Project. United States. doi:10.17188/1206292.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2W4O13 by Materials Project". United States. doi:10.17188/1206292. https://www.osti.gov/servlets/purl/1206292. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1206292,
title = {Materials Data on Na2W4O13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2W4O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.82 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are a spread of W–O bond distances ranging from 1.79–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 8–21°. There are a spread of W–O bond distances ranging from 1.78–2.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two W6+ atoms.},
doi = {10.17188/1206292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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