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Title: Materials Data on Yb(GaS2)2 by Materials Project

Abstract

Yb(GaS2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.97 Å) and four longer (3.03 Å) Yb–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Yb2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SYb2Ga2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1104569
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; Yb(GaS2)2; Ga-S-Yb
OSTI Identifier:
1728839
DOI:
https://doi.org/10.17188/1728839

Citation Formats

The Materials Project. Materials Data on Yb(GaS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728839.
The Materials Project. Materials Data on Yb(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1728839
The Materials Project. 2020. "Materials Data on Yb(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1728839. https://www.osti.gov/servlets/purl/1728839. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1728839,
title = {Materials Data on Yb(GaS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(GaS2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.97 Å) and four longer (3.03 Å) Yb–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Yb2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SYb2Ga2 trigonal pyramids.},
doi = {10.17188/1728839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}