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Title: Materials Data on Yb4As2O by Materials Project

Abstract

Yb4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.97 Å) and four longer (3.23 Å) Yb–As bond lengths. The Yb–O bond length is 2.59 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Yb–As bond lengths are 3.08 Å. Both Yb–O bond lengths are 2.26 Å. As3- is bonded in a 9-coordinate geometry to nine Yb2+ atoms. O2- is bonded to six Yb2+ atoms to form corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-9799
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; Yb4As2O; As-O-Yb
OSTI Identifier:
1316159
DOI:
10.17188/1316159

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb4As2O by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1316159.
Persson, Kristin, & Project, Materials. Materials Data on Yb4As2O by Materials Project. United States. doi:10.17188/1316159.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Yb4As2O by Materials Project". United States. doi:10.17188/1316159. https://www.osti.gov/servlets/purl/1316159. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1316159,
title = {Materials Data on Yb4As2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.97 Å) and four longer (3.23 Å) Yb–As bond lengths. The Yb–O bond length is 2.59 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Yb–As bond lengths are 3.08 Å. Both Yb–O bond lengths are 2.26 Å. As3- is bonded in a 9-coordinate geometry to nine Yb2+ atoms. O2- is bonded to six Yb2+ atoms to form corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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