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Title: Materials Data on Gd2WO6 by Materials Project

Abstract

Gd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.65 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 hexagonal pyramids that share corners with three equivalent WO6 octahedra, edges with two equivalent GdO7 hexagonal pyramids, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. There are a spread of Gd–O bond distances ranging from 2.34–2.47 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with three equivalent GdO7 hexagonal pyramids and edges with two equivalent GdO7 hexagonal pyramids. There are a spread of W–O bond distances ranging from 1.90–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Gd3+ and one W6+ atom to form distorted corner-sharing OGd3W tetrahedra. In the third O2- site, O2-more » is bonded in a 4-coordinate geometry to three Gd3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-565757
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; Gd2WO6; Gd-O-W
OSTI Identifier:
1273154
DOI:
10.17188/1273154

Citation Formats

The Materials Project. Materials Data on Gd2WO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273154.
The Materials Project. Materials Data on Gd2WO6 by Materials Project. United States. doi:10.17188/1273154.
The Materials Project. 2020. "Materials Data on Gd2WO6 by Materials Project". United States. doi:10.17188/1273154. https://www.osti.gov/servlets/purl/1273154. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1273154,
title = {Materials Data on Gd2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.65 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 hexagonal pyramids that share corners with three equivalent WO6 octahedra, edges with two equivalent GdO7 hexagonal pyramids, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. There are a spread of Gd–O bond distances ranging from 2.34–2.47 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with three equivalent GdO7 hexagonal pyramids and edges with two equivalent GdO7 hexagonal pyramids. There are a spread of W–O bond distances ranging from 1.90–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Gd3+ and one W6+ atom to form distorted corner-sharing OGd3W tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one W6+ atom.},
doi = {10.17188/1273154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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