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Title: Materials Data on Y2WO6 by Materials Project

Abstract

Y2WO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.38 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.25 Å) and four longer (2.38 Å) Y–O bond lengths. W6+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There is two shorter (1.88 Å) and four longer (2.03 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one W6+ atom to form a mixture of corner and edge-sharing OY3W tetrahedra. In the second O2- site, O2- is bonded in a water-like geometry to one Y3+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-1216117
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y2WO6; O-W-Y
OSTI Identifier:
1749532
DOI:
https://doi.org/10.17188/1749532

Citation Formats

The Materials Project. Materials Data on Y2WO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749532.
The Materials Project. Materials Data on Y2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1749532
The Materials Project. 2020. "Materials Data on Y2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1749532. https://www.osti.gov/servlets/purl/1749532. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749532,
title = {Materials Data on Y2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2WO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.38 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.25 Å) and four longer (2.38 Å) Y–O bond lengths. W6+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There is two shorter (1.88 Å) and four longer (2.03 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one W6+ atom to form a mixture of corner and edge-sharing OY3W tetrahedra. In the second O2- site, O2- is bonded in a water-like geometry to one Y3+ and one W6+ atom.},
doi = {10.17188/1749532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}