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Title: Materials Data on Yb2S3O20 by Materials Project

Abstract

Yb2S3O20 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.91 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.70 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.43 Å) and two longer (1.69 Å) S–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one S and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Yb and one S atom. In the third O site, O is bonded in a linear geometry to one Yb and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the fifth O site, O ismore » bonded in a distorted bent 120 degrees geometry to one Yb and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one S and one O atom. The O–O bond length is 1.38 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Yb and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Yb and one S atom.« less

Publication Date:
Other Number(s):
mp-1178809
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; Yb2S3O20; O-S-Yb
OSTI Identifier:
1711117
DOI:
https://doi.org/10.17188/1711117

Citation Formats

The Materials Project. Materials Data on Yb2S3O20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711117.
The Materials Project. Materials Data on Yb2S3O20 by Materials Project. United States. doi:https://doi.org/10.17188/1711117
The Materials Project. 2020. "Materials Data on Yb2S3O20 by Materials Project". United States. doi:https://doi.org/10.17188/1711117. https://www.osti.gov/servlets/purl/1711117. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1711117,
title = {Materials Data on Yb2S3O20 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2S3O20 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.91 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.70 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.43 Å) and two longer (1.69 Å) S–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one S and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Yb and one S atom. In the third O site, O is bonded in a linear geometry to one Yb and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Yb and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one S and one O atom. The O–O bond length is 1.38 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Yb and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Yb and one S atom.},
doi = {10.17188/1711117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}