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Title: Materials Data on Yb6Cu23 by Materials Project

Abstract

Yb6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.84–3.04 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Yb and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.47–2.61 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.55 Å. In the third Cu site, Cu is bonded to four equivalent Yb and eight Cu atoms to form a mixture of corner and face-sharing CuYb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Yb and ten Cu atoms. All Cu–Cu bond lengths are 2.94 Å.

Publication Date:
Other Number(s):
mp-1193632
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; Yb6Cu23; Cu-Yb
OSTI Identifier:
1705475
DOI:
https://doi.org/10.17188/1705475

Citation Formats

The Materials Project. Materials Data on Yb6Cu23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705475.
The Materials Project. Materials Data on Yb6Cu23 by Materials Project. United States. doi:https://doi.org/10.17188/1705475
The Materials Project. 2020. "Materials Data on Yb6Cu23 by Materials Project". United States. doi:https://doi.org/10.17188/1705475. https://www.osti.gov/servlets/purl/1705475. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705475,
title = {Materials Data on Yb6Cu23 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.84–3.04 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Yb and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.47–2.61 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.55 Å. In the third Cu site, Cu is bonded to four equivalent Yb and eight Cu atoms to form a mixture of corner and face-sharing CuYb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Yb and ten Cu atoms. All Cu–Cu bond lengths are 2.94 Å.},
doi = {10.17188/1705475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}