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Title: Materials Data on Yb(YS2)2 by Materials Project

Abstract

Yb(YS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent YS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent YS8 hexagonal bipyramids. There are four shorter (2.80 Å) and four longer (3.02 Å) Yb–S bond lengths. Y3+ is bonded to eight equivalent S2- atoms to form distorted YS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent YS8 hexagonal bipyramids, edges with four equivalent YS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent YS8 hexagonal bipyramids. There are a spread of Y–S bond distances ranging from 2.75–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Yb2+ and four equivalent Y3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-675293
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; Yb(YS2)2; S-Y-Yb
OSTI Identifier:
1282649
DOI:
https://doi.org/10.17188/1282649

Citation Formats

The Materials Project. Materials Data on Yb(YS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282649.
The Materials Project. Materials Data on Yb(YS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282649
The Materials Project. 2020. "Materials Data on Yb(YS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282649. https://www.osti.gov/servlets/purl/1282649. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1282649,
title = {Materials Data on Yb(YS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(YS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent YS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent YS8 hexagonal bipyramids. There are four shorter (2.80 Å) and four longer (3.02 Å) Yb–S bond lengths. Y3+ is bonded to eight equivalent S2- atoms to form distorted YS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent YS8 hexagonal bipyramids, edges with four equivalent YS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent YS8 hexagonal bipyramids. There are a spread of Y–S bond distances ranging from 2.75–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Yb2+ and four equivalent Y3+ atoms.},
doi = {10.17188/1282649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}