Materials Data on As2W2O11 by Materials Project
Abstract
W2As2O11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. 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 a cornercorner with one WO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of W–O bond distances ranging from 1.73–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share a cornercorner with one WO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of W–O bond distances ranging from 1.73–2.18 Å. There are two inequivalent As5+ sites. In the first As5+ site, 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 4–47°. There are a spread of As–O bond distances ranging from 1.69–1.72 Å. In the second As5+ site, 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 36–44°. There ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-504532
- 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; As2W2O11; As-O-W
- OSTI Identifier:
- 1261760
- DOI:
- https://doi.org/10.17188/1261760
Citation Formats
The Materials Project. Materials Data on As2W2O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1261760.
The Materials Project. Materials Data on As2W2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1261760
The Materials Project. 2020.
"Materials Data on As2W2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1261760. https://www.osti.gov/servlets/purl/1261760. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1261760,
title = {Materials Data on As2W2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {W2As2O11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. 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 a cornercorner with one WO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of W–O bond distances ranging from 1.73–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share a cornercorner with one WO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of W–O bond distances ranging from 1.73–2.18 Å. There are two inequivalent As5+ sites. In the first As5+ site, 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 4–47°. There are a spread of As–O bond distances ranging from 1.69–1.72 Å. In the second As5+ site, 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 36–44°. There is one shorter (1.68 Å) and three longer (1.72 Å) As–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate 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 W6+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to one W6+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W6+ and one As5+ atom.},
doi = {10.17188/1261760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}