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Title: Materials Data on Dy(InCu)6 by Materials Project

Abstract

DyCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.52 Å) and eight longer (3.53 Å) Dy–Cu bond lengths. There are a spread of Dy–In bond distances ranging from 3.07–3.27 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Dy, four Cu, and six In atoms to form a mixture of distorted edge, face, and corner-sharing CuDy2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.79 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.74–2.93 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and one In atom. The In–In bond length is 3.01 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Dy and sixmore » Cu atoms. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Dy and six Cu atoms.« less

Publication Date:
Other Number(s):
mp-1225823
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; Dy(InCu)6; Cu-Dy-In
OSTI Identifier:
1655378
DOI:
https://doi.org/10.17188/1655378

Citation Formats

The Materials Project. Materials Data on Dy(InCu)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655378.
The Materials Project. Materials Data on Dy(InCu)6 by Materials Project. United States. doi:https://doi.org/10.17188/1655378
The Materials Project. 2020. "Materials Data on Dy(InCu)6 by Materials Project". United States. doi:https://doi.org/10.17188/1655378. https://www.osti.gov/servlets/purl/1655378. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1655378,
title = {Materials Data on Dy(InCu)6 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.52 Å) and eight longer (3.53 Å) Dy–Cu bond lengths. There are a spread of Dy–In bond distances ranging from 3.07–3.27 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Dy, four Cu, and six In atoms to form a mixture of distorted edge, face, and corner-sharing CuDy2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.79 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.74–2.93 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and one In atom. The In–In bond length is 3.01 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Dy and six Cu atoms. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Dy and six Cu atoms.},
doi = {10.17188/1655378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}