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Title: Materials Data on Yb(GdS2)2 by Materials Project

Abstract

Yb(GdS2)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 GdS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent GdS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.03 Å) Yb–S bond lengths. Gd3+ is bonded to eight equivalent S2- atoms to form distorted GdS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent GdS8 hexagonal bipyramids, edges with four equivalent GdS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent GdS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.02 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

Authors:
Publication Date:
Other Number(s):
mp-675856
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(GdS2)2; Gd-S-Yb
OSTI Identifier:
1282867
DOI:
https://doi.org/10.17188/1282867

Citation Formats

The Materials Project. Materials Data on Yb(GdS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282867.
The Materials Project. Materials Data on Yb(GdS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282867
The Materials Project. 2020. "Materials Data on Yb(GdS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282867. https://www.osti.gov/servlets/purl/1282867. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282867,
title = {Materials Data on Yb(GdS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(GdS2)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 GdS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent GdS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.03 Å) Yb–S bond lengths. Gd3+ is bonded to eight equivalent S2- atoms to form distorted GdS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent GdS8 hexagonal bipyramids, edges with four equivalent GdS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent GdS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.02 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.},
doi = {10.17188/1282867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}