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Title: Materials Data on YbEu(InCu4)2 by Materials Project

Abstract

YbEu(Cu4In)2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu and four In atoms. There are a spread of Yb–Cu bond distances ranging from 2.95–3.01 Å. There are one shorter (3.09 Å) and three longer (3.13 Å) Yb–In bond lengths. Eu is bonded in a 12-coordinate geometry to twelve Cu and four In atoms. There are a spread of Eu–Cu bond distances ranging from 3.01–3.05 Å. All Eu–In bond lengths are 3.16 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to one Yb, two equivalent Eu, six Cu, and three In atoms to form a mixture of face, edge, and corner-sharing CuYbEu2In3Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.61 Å. There are two shorter (3.00 Å) and one longer (3.08 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded to two equivalent Yb, one Eu, six Cu, and three In atoms to form a mixture of face, edge, and corner-sharing CuYb2EuIn3Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.59 Å. There are one shorter (2.92 Å) and two longermore » (3.00 Å) Cu–In bond lengths. In the third Cu site, Cu is bonded to three equivalent Eu, six Cu, and three equivalent In atoms to form CuEu3In3Cu6 cuboctahedra that share corners with eighteen CuYbEu2In3Cu6 cuboctahedra, edges with six equivalent CuEu3In3Cu6 cuboctahedra, and faces with eighteen CuYbEu2In3Cu6 cuboctahedra. All Cu–In bond lengths are 3.01 Å. In the fourth Cu site, Cu is bonded to three equivalent Yb, six Cu, and three equivalent In atoms to form CuYb3In3Cu6 cuboctahedra that share corners with eighteen CuYbEu2In3Cu6 cuboctahedra, edges with six equivalent CuYb3In3Cu6 cuboctahedra, and faces with eighteen CuYbEu2In3Cu6 cuboctahedra. All Cu–In bond lengths are 3.00 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to three equivalent Yb, one Eu, and twelve Cu atoms. In the second In site, In is bonded in a 4-coordinate geometry to one Yb, three equivalent Eu, and twelve Cu atoms.« less

Publication Date:
Other Number(s):
mp-1216055
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; YbEu(InCu4)2; Cu-Eu-In-Yb
OSTI Identifier:
1654414
DOI:
https://doi.org/10.17188/1654414

Citation Formats

The Materials Project. Materials Data on YbEu(InCu4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654414.
The Materials Project. Materials Data on YbEu(InCu4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1654414
The Materials Project. 2019. "Materials Data on YbEu(InCu4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1654414. https://www.osti.gov/servlets/purl/1654414. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654414,
title = {Materials Data on YbEu(InCu4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbEu(Cu4In)2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu and four In atoms. There are a spread of Yb–Cu bond distances ranging from 2.95–3.01 Å. There are one shorter (3.09 Å) and three longer (3.13 Å) Yb–In bond lengths. Eu is bonded in a 12-coordinate geometry to twelve Cu and four In atoms. There are a spread of Eu–Cu bond distances ranging from 3.01–3.05 Å. All Eu–In bond lengths are 3.16 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to one Yb, two equivalent Eu, six Cu, and three In atoms to form a mixture of face, edge, and corner-sharing CuYbEu2In3Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.61 Å. There are two shorter (3.00 Å) and one longer (3.08 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded to two equivalent Yb, one Eu, six Cu, and three In atoms to form a mixture of face, edge, and corner-sharing CuYb2EuIn3Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.59 Å. There are one shorter (2.92 Å) and two longer (3.00 Å) Cu–In bond lengths. In the third Cu site, Cu is bonded to three equivalent Eu, six Cu, and three equivalent In atoms to form CuEu3In3Cu6 cuboctahedra that share corners with eighteen CuYbEu2In3Cu6 cuboctahedra, edges with six equivalent CuEu3In3Cu6 cuboctahedra, and faces with eighteen CuYbEu2In3Cu6 cuboctahedra. All Cu–In bond lengths are 3.01 Å. In the fourth Cu site, Cu is bonded to three equivalent Yb, six Cu, and three equivalent In atoms to form CuYb3In3Cu6 cuboctahedra that share corners with eighteen CuYbEu2In3Cu6 cuboctahedra, edges with six equivalent CuYb3In3Cu6 cuboctahedra, and faces with eighteen CuYbEu2In3Cu6 cuboctahedra. All Cu–In bond lengths are 3.00 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to three equivalent Yb, one Eu, and twelve Cu atoms. In the second In site, In is bonded in a 4-coordinate geometry to one Yb, three equivalent Eu, and twelve Cu atoms.},
doi = {10.17188/1654414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}