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Title: Materials Data on CeDyS3 by Materials Project

Abstract

DyCeS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to seven S2- atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–2.91 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with six equivalent SCe4Dy square pyramids, corners with seven equivalent SCe2Dy3 trigonal bipyramids, an edgeedge with one SCe4Dy square pyramid, edges with seven SCe2Dy3 trigonal bipyramids, and a faceface with one SCe4Dy square pyramid. In the second S2- site, S2- is bonded to one Dy3+ and four equivalent Ce3+ atoms to form distorted SCe4Dy square pyramids that share corners with four equivalent SCe4Dy square pyramids, corners with nine SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, edges with five SCe2Dy3 trigonal bipyramids, and a faceface with one SCe2Dy3 trigonal bipyramid. In the third S2- site, S2- is bonded to three equivalent Dy3+ and two equivalentmore » Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with three equivalent SCe4Dy square pyramids, corners with eleven SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, and edges with five SCe2Dy3 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-20775
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; CeDyS3; Ce-Dy-S
OSTI Identifier:
1195965
DOI:
https://doi.org/10.17188/1195965

Citation Formats

The Materials Project. Materials Data on CeDyS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195965.
The Materials Project. Materials Data on CeDyS3 by Materials Project. United States. doi:https://doi.org/10.17188/1195965
The Materials Project. 2020. "Materials Data on CeDyS3 by Materials Project". United States. doi:https://doi.org/10.17188/1195965. https://www.osti.gov/servlets/purl/1195965. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195965,
title = {Materials Data on CeDyS3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCeS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to seven S2- atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–2.91 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with six equivalent SCe4Dy square pyramids, corners with seven equivalent SCe2Dy3 trigonal bipyramids, an edgeedge with one SCe4Dy square pyramid, edges with seven SCe2Dy3 trigonal bipyramids, and a faceface with one SCe4Dy square pyramid. In the second S2- site, S2- is bonded to one Dy3+ and four equivalent Ce3+ atoms to form distorted SCe4Dy square pyramids that share corners with four equivalent SCe4Dy square pyramids, corners with nine SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, edges with five SCe2Dy3 trigonal bipyramids, and a faceface with one SCe2Dy3 trigonal bipyramid. In the third S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Ce3+ atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with three equivalent SCe4Dy square pyramids, corners with eleven SCe2Dy3 trigonal bipyramids, edges with four equivalent SCe4Dy square pyramids, and edges with five SCe2Dy3 trigonal bipyramids.},
doi = {10.17188/1195965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}