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Title: Materials Data on YbSeO3F by Materials Project

Abstract

YbSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.62 Å. There are one shorter (2.22 Å) and one longer (2.25 Å) Yb–F bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.69 Å) and one longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553963
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; YbSeO3F; F-O-Se-Yb
OSTI Identifier:
1267662
DOI:
10.17188/1267662

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YbSeO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267662.
Persson, Kristin, & Project, Materials. Materials Data on YbSeO3F by Materials Project. United States. doi:10.17188/1267662.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YbSeO3F by Materials Project". United States. doi:10.17188/1267662. https://www.osti.gov/servlets/purl/1267662. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1267662,
title = {Materials Data on YbSeO3F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YbSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.62 Å. There are one shorter (2.22 Å) and one longer (2.25 Å) Yb–F bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.69 Å) and one longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ atoms.},
doi = {10.17188/1267662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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