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Title: Materials Data on NaSbWO7 by Materials Project

Abstract

NaWSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded to eight O atoms to form NaO8 hexagonal bipyramids that share edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent WO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.33–2.64 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–40°. There is four shorter (1.93 Å) and two longer (1.97 Å) W–O bond length. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–48°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. 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 inmore » a distorted trigonal non-coplanar geometry to one Na, one W, and one Sb 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 to two equivalent Na and two equivalent Sb atoms to form distorted corner-sharing ONa2Sb2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1220907
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; NaSbWO7; Na-O-Sb-W
OSTI Identifier:
1714751
DOI:
https://doi.org/10.17188/1714751

Citation Formats

The Materials Project. Materials Data on NaSbWO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1714751.
The Materials Project. Materials Data on NaSbWO7 by Materials Project. United States. doi:https://doi.org/10.17188/1714751
The Materials Project. 2020. "Materials Data on NaSbWO7 by Materials Project". United States. doi:https://doi.org/10.17188/1714751. https://www.osti.gov/servlets/purl/1714751. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1714751,
title = {Materials Data on NaSbWO7 by Materials Project},
author = {The Materials Project},
abstractNote = {NaWSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded to eight O atoms to form NaO8 hexagonal bipyramids that share edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent WO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.33–2.64 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–40°. There is four shorter (1.93 Å) and two longer (1.97 Å) W–O bond length. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–48°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. 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 distorted trigonal non-coplanar geometry to one Na, one W, and one Sb 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 to two equivalent Na and two equivalent Sb atoms to form distorted corner-sharing ONa2Sb2 tetrahedra.},
doi = {10.17188/1714751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}