DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YbCd6 by Materials Project

Abstract

Cd6Yb crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Yb–Cd bond distances ranging from 3.31–3.70 Å. There are nine inequivalent Cd sites. In the first Cd site, Cd is bonded to two equivalent Yb and ten Cd atoms to form distorted CdYb2Cd10 cuboctahedra that share corners with four equivalent CdYb2Cd10 cuboctahedra, an edgeedge with one CdYb2Cd10 cuboctahedra, and faces with six equivalent CdYb3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.84–3.35 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.14 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.91–3.23 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–2.99 Å. In the fifth Cd site, Cd is bonded inmore » a distorted q6 geometry to three equivalent Yb and six Cd atoms. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are one shorter (3.02 Å) and one longer (3.04 Å) Cd–Cd bond lengths. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Yb and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.04–3.27 Å. In the eighth Cd site, Cd is bonded to three equivalent Yb and nine Cd atoms to form CdYb3Cd9 cuboctahedra that share an edgeedge with one CdYb3Cd9 cuboctahedra and faces with nine CdYb2Cd10 cuboctahedra. The Cd–Cd bond length is 3.04 Å. In the ninth Cd site, Cd is bonded in a 7-coordinate geometry to seven Cd atoms. All Cd–Cd bond lengths are 3.03 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-680604
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbCd6; Cd-Yb
OSTI Identifier:
1283686
DOI:
https://doi.org/10.17188/1283686

Citation Formats

The Materials Project. Materials Data on YbCd6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283686.
The Materials Project. Materials Data on YbCd6 by Materials Project. United States. doi:https://doi.org/10.17188/1283686
The Materials Project. 2020. "Materials Data on YbCd6 by Materials Project". United States. doi:https://doi.org/10.17188/1283686. https://www.osti.gov/servlets/purl/1283686. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1283686,
title = {Materials Data on YbCd6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd6Yb crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Yb–Cd bond distances ranging from 3.31–3.70 Å. There are nine inequivalent Cd sites. In the first Cd site, Cd is bonded to two equivalent Yb and ten Cd atoms to form distorted CdYb2Cd10 cuboctahedra that share corners with four equivalent CdYb2Cd10 cuboctahedra, an edgeedge with one CdYb2Cd10 cuboctahedra, and faces with six equivalent CdYb3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.84–3.35 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.14 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.91–3.23 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–2.99 Å. In the fifth Cd site, Cd is bonded in a distorted q6 geometry to three equivalent Yb and six Cd atoms. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to three equivalent Yb and seven Cd atoms. There are one shorter (3.02 Å) and one longer (3.04 Å) Cd–Cd bond lengths. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Yb and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.04–3.27 Å. In the eighth Cd site, Cd is bonded to three equivalent Yb and nine Cd atoms to form CdYb3Cd9 cuboctahedra that share an edgeedge with one CdYb3Cd9 cuboctahedra and faces with nine CdYb2Cd10 cuboctahedra. The Cd–Cd bond length is 3.04 Å. In the ninth Cd site, Cd is bonded in a 7-coordinate geometry to seven Cd atoms. All Cd–Cd bond lengths are 3.03 Å.},
doi = {10.17188/1283686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}