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Title: Materials Data on Gd2S3 by Materials Project

Abstract

Gd2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.24 Å. In the second Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.91 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-669509
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; Gd2S3; Gd-S
OSTI Identifier:
1281646
DOI:
10.17188/1281646

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281646.
Persson, Kristin, & Project, Materials. Materials Data on Gd2S3 by Materials Project. United States. doi:10.17188/1281646.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd2S3 by Materials Project". United States. doi:10.17188/1281646. https://www.osti.gov/servlets/purl/1281646. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281646,
title = {Materials Data on Gd2S3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.24 Å. In the second Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.91 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms.},
doi = {10.17188/1281646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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