U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaAsW2O9 by Materials Project
Abstract
NaW2AsO9 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.97 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four WO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–40°. There are a spread of W–O bond distances ranging from 1.75–2.22 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with three equivalent AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–40°. There are a spread of W–O bond distances ranging from 1.76–2.17 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–54°. There are a spread of As–O bond distances ranging from 1.70–1.73 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bentmore »
- Publication Date:
- Other Number(s):
- mp-1194840
- 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; As-Na-O-W; NaAsW2O9; crystal structure
- OSTI Identifier:
- 1651830
- DOI:
- https://doi.org/10.17188/1651830
Citation Formats
Materials Data on NaAsW2O9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1651830.
Materials Data on NaAsW2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1651830
2019.
"Materials Data on NaAsW2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1651830. https://www.osti.gov/servlets/purl/1651830. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1651830,
title = {Materials Data on NaAsW2O9 by Materials Project},
abstractNote = {NaW2AsO9 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.97 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four WO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–40°. There are a spread of W–O bond distances ranging from 1.75–2.22 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with three equivalent AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–40°. There are a spread of W–O bond distances ranging from 1.76–2.17 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–54°. There are a spread of As–O bond distances ranging from 1.70–1.73 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one W6+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+, one W6+, and one As5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent W6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one W6+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W6+, and one As5+ atom.},
doi = {10.17188/1651830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}