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Title: Materials Data on YbLuSO2 by Materials Project

Abstract

LuYbSO2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Lu3+ is bonded to three equivalent S2- and four O2- atoms to form distorted edge-sharing LuS3O4 trigonal pyramids. All Lu–S bond lengths are 2.95 Å. There are one shorter (2.12 Å) and three longer (2.18 Å) Lu–O bond lengths. Yb3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four O2- atoms. All Yb–S bond lengths are 3.00 Å. There are three shorter (2.24 Å) and one longer (2.41 Å) Yb–O bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Yb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Yb3+ atoms to form OYb3Lu tetrahedra that share corners with six equivalent OYb3Lu tetrahedra and edges with three equivalent OYbLu3 trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Lu3+ and one Yb3+ atom to form distorted OYbLu3 trigonal pyramids that share corners with six equivalent OYbLu3 trigonal pyramids and edges with three equivalent OYb3Lu tetrahedra.

Publication Date:
Other Number(s):
mp-1215567
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; YbLuSO2; Lu-O-S-Yb
OSTI Identifier:
1759689
DOI:
https://doi.org/10.17188/1759689

Citation Formats

The Materials Project. Materials Data on YbLuSO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759689.
The Materials Project. Materials Data on YbLuSO2 by Materials Project. United States. doi:https://doi.org/10.17188/1759689
The Materials Project. 2020. "Materials Data on YbLuSO2 by Materials Project". United States. doi:https://doi.org/10.17188/1759689. https://www.osti.gov/servlets/purl/1759689. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759689,
title = {Materials Data on YbLuSO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LuYbSO2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Lu3+ is bonded to three equivalent S2- and four O2- atoms to form distorted edge-sharing LuS3O4 trigonal pyramids. All Lu–S bond lengths are 2.95 Å. There are one shorter (2.12 Å) and three longer (2.18 Å) Lu–O bond lengths. Yb3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four O2- atoms. All Yb–S bond lengths are 3.00 Å. There are three shorter (2.24 Å) and one longer (2.41 Å) Yb–O bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Yb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Yb3+ atoms to form OYb3Lu tetrahedra that share corners with six equivalent OYb3Lu tetrahedra and edges with three equivalent OYbLu3 trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Lu3+ and one Yb3+ atom to form distorted OYbLu3 trigonal pyramids that share corners with six equivalent OYbLu3 trigonal pyramids and edges with three equivalent OYb3Lu tetrahedra.},
doi = {10.17188/1759689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}