DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Yb2W8(SO4)3 by Materials Project

Abstract

(W)2Yb2W6(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight tungsten molecules and two Yb2W6(SO4)3 sheets oriented in the (1, 0, 0) direction. In each Yb2W6(SO4)3 sheet, Yb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Yb–O bond distances ranging from 2.22–2.58 Å. There are three inequivalent W3+ sites. In the first W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.33 Å. In the second W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.28 Å. In the third W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.11 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. In the second S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.54 Å. There are six inequivalent O2-more » sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W3+ and one S2- atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one S2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Yb3+, one W3+, and one S2- atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W3+ and one S2- atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one S2- atom.« less

Publication Date:
Other Number(s):
mp-1209727
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; Yb2W8(SO4)3; O-S-W-Yb
OSTI Identifier:
1664223
DOI:
https://doi.org/10.17188/1664223

Citation Formats

The Materials Project. Materials Data on Yb2W8(SO4)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664223.
The Materials Project. Materials Data on Yb2W8(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1664223
The Materials Project. 2019. "Materials Data on Yb2W8(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1664223. https://www.osti.gov/servlets/purl/1664223. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1664223,
title = {Materials Data on Yb2W8(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(W)2Yb2W6(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight tungsten molecules and two Yb2W6(SO4)3 sheets oriented in the (1, 0, 0) direction. In each Yb2W6(SO4)3 sheet, Yb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Yb–O bond distances ranging from 2.22–2.58 Å. There are three inequivalent W3+ sites. In the first W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.33 Å. In the second W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.28 Å. In the third W3+ site, W3+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.11 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. In the second S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W3+ and one S2- atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one S2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Yb3+, one W3+, and one S2- atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W3+ and one S2- atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one S2- atom.},
doi = {10.17188/1664223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}