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Title: Materials Data on YbCrSb3 by Materials Project

Abstract

YbCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.25–3.37 Å. Cr6+ is bonded to six Sb3- atoms to form a mixture of face, edge, and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Cr–Sb bond distances ranging from 2.69–2.73 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb3- atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to one Yb3+, four equivalent Cr6+, and one Sb3- atom. The Sb–Sb bond length is 3.14 Å. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Yb3+, two equivalent Cr6+, and one Sb3- atom.

Publication Date:
Other Number(s):
mp-19829
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; YbCrSb3; Cr-Sb-Yb
OSTI Identifier:
1195024
DOI:
https://doi.org/10.17188/1195024

Citation Formats

The Materials Project. Materials Data on YbCrSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195024.
The Materials Project. Materials Data on YbCrSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1195024
The Materials Project. 2020. "Materials Data on YbCrSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1195024. https://www.osti.gov/servlets/purl/1195024. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1195024,
title = {Materials Data on YbCrSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.25–3.37 Å. Cr6+ is bonded to six Sb3- atoms to form a mixture of face, edge, and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Cr–Sb bond distances ranging from 2.69–2.73 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb3- atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to one Yb3+, four equivalent Cr6+, and one Sb3- atom. The Sb–Sb bond length is 3.14 Å. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Yb3+, two equivalent Cr6+, and one Sb3- atom.},
doi = {10.17188/1195024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}