U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2As4O11 by Materials Project
Abstract
Na2As4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–3.02 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of As–O bond distances ranging from 1.66–1.77 Å. In the second As5+ site, As5+ is bonded to six O2- atoms to form AsO6 octahedra that share a cornercorner with one AsO6 octahedra, corners with three equivalent AsO4 tetrahedra, and an edgeedge with one AsO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of As–O bond distances ranging from 1.83–1.90 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and twomore »
- Publication Date:
- Other Number(s):
- mp-504953
- 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; Na2As4O11; crystal structure
- OSTI Identifier:
- 1262146
- DOI:
- https://doi.org/10.17188/1262146
Citation Formats
Materials Data on Na2As4O11 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1262146.
Materials Data on Na2As4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1262146
2019.
"Materials Data on Na2As4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1262146. https://www.osti.gov/servlets/purl/1262146. Pub date:Tue Jun 04 04:00:00 UTC 2019
@article{osti_1262146,
title = {Materials Data on Na2As4O11 by Materials Project},
abstractNote = {Na2As4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–3.02 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of As–O bond distances ranging from 1.66–1.77 Å. In the second As5+ site, As5+ is bonded to six O2- atoms to form AsO6 octahedra that share a cornercorner with one AsO6 octahedra, corners with three equivalent AsO4 tetrahedra, and an edgeedge with one AsO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of As–O bond distances ranging from 1.83–1.90 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two As5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent As5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent As5+ atoms.},
doi = {10.17188/1262146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}