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Title: Materials Data on W9O13 by Materials Project

Abstract

W9O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent W+2.89+ sites. In the first W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent WO5 square pyramids and edges with two equivalent WO6 octahedra. There are a spread of W–O bond distances ranging from 2.14–2.22 Å. In the second W+2.89+ site, W+2.89+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.04–2.56 Å. In the third W+2.89+ site, W+2.89+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.05–2.46 Å. In the fourth W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share a cornercorner with one WO6 octahedra, a cornercorner with one WO5 square pyramid, and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.97–2.18 Å. In the fifth W+2.89+ site, W+2.89+ is bonded to five O2- atoms to form distorted WO5 square pyramids that share corners with three WO6 octahedramore » and edges with two equivalent WO5 square pyramids. The corner-sharing octahedra tilt angles range from 22–74°. There are a spread of W–O bond distances ranging from 1.91–2.20 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four W+2.89+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+2.89+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+2.89+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four W+2.89+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W+2.89+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-2899
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; W9O13; O-W
OSTI Identifier:
1320318
DOI:
https://doi.org/10.17188/1320318

Citation Formats

The Materials Project. Materials Data on W9O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320318.
The Materials Project. Materials Data on W9O13 by Materials Project. United States. doi:https://doi.org/10.17188/1320318
The Materials Project. 2020. "Materials Data on W9O13 by Materials Project". United States. doi:https://doi.org/10.17188/1320318. https://www.osti.gov/servlets/purl/1320318. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320318,
title = {Materials Data on W9O13 by Materials Project},
author = {The Materials Project},
abstractNote = {W9O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent W+2.89+ sites. In the first W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent WO5 square pyramids and edges with two equivalent WO6 octahedra. There are a spread of W–O bond distances ranging from 2.14–2.22 Å. In the second W+2.89+ site, W+2.89+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.04–2.56 Å. In the third W+2.89+ site, W+2.89+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.05–2.46 Å. In the fourth W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share a cornercorner with one WO6 octahedra, a cornercorner with one WO5 square pyramid, and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.97–2.18 Å. In the fifth W+2.89+ site, W+2.89+ is bonded to five O2- atoms to form distorted WO5 square pyramids that share corners with three WO6 octahedra and edges with two equivalent WO5 square pyramids. The corner-sharing octahedra tilt angles range from 22–74°. There are a spread of W–O bond distances ranging from 1.91–2.20 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four W+2.89+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+2.89+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+2.89+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four W+2.89+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W+2.89+ atoms.},
doi = {10.17188/1320318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}