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Title: Materials Data on Na4W4O15 by Materials Project

Abstract

Na4W4O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.82 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share a cornercorner with one NaO6 octahedra, corners with three equivalent WO6 octahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of Na–O bond distances ranging from 2.28–2.68 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.28 Å. In the second W site, W is bonded to six O atoms to form distorted WO6 octahedra that share corners with three equivalent NaO6 octahedra and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. There are a spread of W–O bond distances ranging from 1.80–2.15 Å. There are eight inequivalent O sites. In the first O site,more » O is bonded in a linear geometry to two equivalent Na atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom. In the third O site, O is bonded to three Na and one W atom to form a mixture of distorted edge and corner-sharing ONa3W trigonal pyramids. In the fourth O site, O is bonded in a trigonal planar geometry to one Na and two W atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to three W atoms. In the sixth O site, O is bonded to two equivalent Na and two W atoms to form distorted ONa2W2 trigonal pyramids that share a cornercorner with one ONa3W trigonal pyramid and edges with two ONa2W2 trigonal pyramids. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na and two W atoms. In the eighth O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom.« less

Publication Date:
Other Number(s):
mp-1191377
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; Na4W4O15; Na-O-W
OSTI Identifier:
1727042
DOI:
https://doi.org/10.17188/1727042

Citation Formats

The Materials Project. Materials Data on Na4W4O15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727042.
The Materials Project. Materials Data on Na4W4O15 by Materials Project. United States. doi:https://doi.org/10.17188/1727042
The Materials Project. 2020. "Materials Data on Na4W4O15 by Materials Project". United States. doi:https://doi.org/10.17188/1727042. https://www.osti.gov/servlets/purl/1727042. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727042,
title = {Materials Data on Na4W4O15 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4W4O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.82 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share a cornercorner with one NaO6 octahedra, corners with three equivalent WO6 octahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of Na–O bond distances ranging from 2.28–2.68 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.28 Å. In the second W site, W is bonded to six O atoms to form distorted WO6 octahedra that share corners with three equivalent NaO6 octahedra and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. There are a spread of W–O bond distances ranging from 1.80–2.15 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Na atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom. In the third O site, O is bonded to three Na and one W atom to form a mixture of distorted edge and corner-sharing ONa3W trigonal pyramids. In the fourth O site, O is bonded in a trigonal planar geometry to one Na and two W atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to three W atoms. In the sixth O site, O is bonded to two equivalent Na and two W atoms to form distorted ONa2W2 trigonal pyramids that share a cornercorner with one ONa3W trigonal pyramid and edges with two ONa2W2 trigonal pyramids. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na and two W atoms. In the eighth O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom.},
doi = {10.17188/1727042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}