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Title: Materials Data on YbWBrO4 by Materials Project

Abstract

YbWO4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- and two equivalent Br1- atoms. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.07 Å) and one longer (3.13 Å) Yb–Br bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.24–2.41 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.87 Å. In the second W6+ site, W6+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Yb3+, one W6+, and one Br1- atom. The O–Br bond length is 2.46 Å. In the second O2- site, O2- is bondedmore » in a distorted bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Yb3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Yb3+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1192841
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; YbWBrO4; Br-O-W-Yb
OSTI Identifier:
1746470
DOI:
https://doi.org/10.17188/1746470

Citation Formats

The Materials Project. Materials Data on YbWBrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746470.
The Materials Project. Materials Data on YbWBrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1746470
The Materials Project. 2020. "Materials Data on YbWBrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1746470. https://www.osti.gov/servlets/purl/1746470. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746470,
title = {Materials Data on YbWBrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbWO4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- and two equivalent Br1- atoms. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.07 Å) and one longer (3.13 Å) Yb–Br bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.24–2.41 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.87 Å. In the second W6+ site, W6+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Yb3+, one W6+, and one Br1- atom. The O–Br bond length is 2.46 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Yb3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Yb3+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one O2- atom.},
doi = {10.17188/1746470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}