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

Title: Materials Data on NaNbWO7 by Materials Project

Abstract

NaNbWO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded to eight O atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent WO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.32–2.73 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are four shorter (2.00 Å) and two longer (2.01 Å) Nb–O bond lengths. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent NbO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–38°. There is four shorter (1.93 Å) and two longer (1.97 Å) W–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Na atoms. In the second O site, O is bondedmore » in a 3-coordinate geometry to one Na, one Nb, and one W atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Na and two equivalent Nb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1221017
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; NaNbWO7; Na-Nb-O-W
OSTI Identifier:
1733451
DOI:
https://doi.org/10.17188/1733451

Citation Formats

The Materials Project. Materials Data on NaNbWO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733451.
The Materials Project. Materials Data on NaNbWO7 by Materials Project. United States. doi:https://doi.org/10.17188/1733451
The Materials Project. 2020. "Materials Data on NaNbWO7 by Materials Project". United States. doi:https://doi.org/10.17188/1733451. https://www.osti.gov/servlets/purl/1733451. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1733451,
title = {Materials Data on NaNbWO7 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbWO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded to eight O atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent WO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.32–2.73 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are four shorter (2.00 Å) and two longer (2.01 Å) Nb–O bond lengths. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent NbO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–38°. There is four shorter (1.93 Å) and two longer (1.97 Å) W–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Na atoms. In the second O site, O is bonded in a 3-coordinate geometry to one Na, one Nb, and one W atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Na and two equivalent Nb atoms.},
doi = {10.17188/1733451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}