U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaTaWO7 by Materials Project
Abstract
NaTaWO7 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 TaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.40–2.70 Å. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–41°. There is two shorter (1.97 Å) and four longer (2.00 Å) Ta–O bond length. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent TaO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–38°. All W–O bond lengths are 1.94 Å. 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, onemore »
- Publication Date:
- Other Number(s):
- mp-1220910
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Na-O-Ta-W; NaTaWO7; crystal structure
- OSTI Identifier:
- 1698779
- DOI:
- https://doi.org/10.17188/1698779
Citation Formats
Materials Data on NaTaWO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698779.
Materials Data on NaTaWO7 by Materials Project. United States. doi:https://doi.org/10.17188/1698779
2020.
"Materials Data on NaTaWO7 by Materials Project". United States. doi:https://doi.org/10.17188/1698779. https://www.osti.gov/servlets/purl/1698779. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1698779,
title = {Materials Data on NaTaWO7 by Materials Project},
abstractNote = {NaTaWO7 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 TaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.40–2.70 Å. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent WO6 octahedra, and edges with four equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–41°. There is two shorter (1.97 Å) and four longer (2.00 Å) Ta–O bond length. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent TaO6 octahedra, and edges with two equivalent NaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–38°. All W–O bond lengths are 1.94 Å. 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 Ta, 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 Ta atoms.},
doi = {10.17188/1698779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}