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Title: Materials Data on Dy2W2O9 by Materials Project

Abstract

Dy2W2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.61 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–1.94 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two W6+ atoms. In the third O2- site, O2- is bondedmore » to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one W6+ atom. In the seventh O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W tetrahedra. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-772682
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; Dy2W2O9; Dy-O-W
OSTI Identifier:
1301416
DOI:
10.17188/1301416

Citation Formats

The Materials Project. Materials Data on Dy2W2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301416.
The Materials Project. Materials Data on Dy2W2O9 by Materials Project. United States. doi:10.17188/1301416.
The Materials Project. 2020. "Materials Data on Dy2W2O9 by Materials Project". United States. doi:10.17188/1301416. https://www.osti.gov/servlets/purl/1301416. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1301416,
title = {Materials Data on Dy2W2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2W2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.61 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–1.94 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two W6+ atoms. In the third O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one W6+ atom. In the seventh O2- site, O2- is bonded to three Dy3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing ODy3W tetrahedra. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one W6+ atom.},
doi = {10.17188/1301416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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