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Title: Materials Data on Na5WO5 by Materials Project

Abstract

Na5WO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share corners with eight NaO5 square pyramids, a cornercorner with one WO5 trigonal bipyramid, edges with six NaO5 square pyramids, and edges with two equivalent WO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.34–2.75 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with six NaO5 square pyramids, corners with three equivalent WO5 trigonal bipyramids, edges with seven NaO5 square pyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of Na–O bond distances ranging from 2.39–2.54 Å. In the third Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with eight NaO5 square pyramids, a cornercorner with one WO5 trigonal bipyramid, edges with six NaO5 square pyramids, and edges with two equivalent WO5 trigonal bipyramids. There are four shorter (2.32 Å) and one longer (2.54 Å) Na–O bond lengths. W5+ is bonded to fivemore » O2- atoms to form WO5 trigonal bipyramids that share corners with nine NaO5 square pyramids and edges with eight NaO5 square pyramids. There are a spread of W–O bond distances ranging from 1.91–1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 6–22°. In the second O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 8–22°. In the third O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 11–17°.« less

Authors:
Publication Date:
Other Number(s):
mp-764782
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; Na5WO5; Na-O-W
OSTI Identifier:
1295292
DOI:
https://doi.org/10.17188/1295292

Citation Formats

The Materials Project. Materials Data on Na5WO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295292.
The Materials Project. Materials Data on Na5WO5 by Materials Project. United States. doi:https://doi.org/10.17188/1295292
The Materials Project. 2020. "Materials Data on Na5WO5 by Materials Project". United States. doi:https://doi.org/10.17188/1295292. https://www.osti.gov/servlets/purl/1295292. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1295292,
title = {Materials Data on Na5WO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na5WO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share corners with eight NaO5 square pyramids, a cornercorner with one WO5 trigonal bipyramid, edges with six NaO5 square pyramids, and edges with two equivalent WO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.34–2.75 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with six NaO5 square pyramids, corners with three equivalent WO5 trigonal bipyramids, edges with seven NaO5 square pyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of Na–O bond distances ranging from 2.39–2.54 Å. In the third Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with eight NaO5 square pyramids, a cornercorner with one WO5 trigonal bipyramid, edges with six NaO5 square pyramids, and edges with two equivalent WO5 trigonal bipyramids. There are four shorter (2.32 Å) and one longer (2.54 Å) Na–O bond lengths. W5+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with nine NaO5 square pyramids and edges with eight NaO5 square pyramids. There are a spread of W–O bond distances ranging from 1.91–1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 6–22°. In the second O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 8–22°. In the third O2- site, O2- is bonded to five Na1+ and one W5+ atom to form a mixture of distorted edge and corner-sharing ONa5W octahedra. The corner-sharing octahedra tilt angles range from 11–17°.},
doi = {10.17188/1295292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}