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Title: Materials Data on Ca(DyS2)2 by Materials Project

Abstract

Ca(DyS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.81 Å) and four longer (3.05 Å) Ca–S bond lengths. Dy3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing DyS8 hexagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Dy3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35787
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; Ca(DyS2)2; Ca-Dy-S
OSTI Identifier:
1207074
DOI:
10.17188/1207074

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(DyS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207074.
Persson, Kristin, & Project, Materials. Materials Data on Ca(DyS2)2 by Materials Project. United States. doi:10.17188/1207074.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca(DyS2)2 by Materials Project". United States. doi:10.17188/1207074. https://www.osti.gov/servlets/purl/1207074. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207074,
title = {Materials Data on Ca(DyS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca(DyS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.81 Å) and four longer (3.05 Å) Ca–S bond lengths. Dy3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing DyS8 hexagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Dy3+ atoms.},
doi = {10.17188/1207074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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