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Title: Materials Data on Yb4Sb2O by Materials Project

Abstract

Yb4Sb2O 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 linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Yb–Sb bond lengths are 3.24 Å. Both Yb–O bond lengths are 2.32 Å. In the second Yb2+ site, Yb2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing YbSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are one shorter (3.20 Å) and four longer (3.31 Å) Yb–Sb bond lengths. The Yb–O bond length is 2.64 Å. Sb3- 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:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1288947
Report Number(s):
mp-753192
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Yb4Sb2O; O-Sb-Yb

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb4Sb2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288947.
Persson, Kristin, & Project, Materials. Materials Data on Yb4Sb2O by Materials Project. United States. https://doi.org/10.17188/1288947
Persson, Kristin, and Project, Materials. Thu . "Materials Data on Yb4Sb2O by Materials Project". United States. https://doi.org/10.17188/1288947. https://www.osti.gov/servlets/purl/1288947.
@article{osti_1288947,
title = {Materials Data on Yb4Sb2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb4Sb2O 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 linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Yb–Sb bond lengths are 3.24 Å. Both Yb–O bond lengths are 2.32 Å. In the second Yb2+ site, Yb2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing YbSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are one shorter (3.20 Å) and four longer (3.31 Å) Yb–Sb bond lengths. The Yb–O bond length is 2.64 Å. Sb3- 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 = {10.17188/1288947},
url = {https://www.osti.gov/biblio/1288947}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}