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Title: Materials Data on YIn7Cu5 by Materials Project

Abstract

YCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Y–Cu bond distances ranging from 3.52–3.66 Å. There are a spread of Y–In bond distances ranging from 3.15–3.54 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.72–2.84 Å. There are a spread of Cu–In bond distances ranging from 2.71–3.00 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.77–3.00 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.02–3.14 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Y, six Cu, and three In atoms. Both In–Inmore » bond lengths are 3.28 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Y, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.01–3.11 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.94 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Y, five Cu, and five In atoms.« less

Publication Date:
Other Number(s):
mp-1216222
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; YIn7Cu5; Cu-In-Y
OSTI Identifier:
1672784
DOI:
https://doi.org/10.17188/1672784

Citation Formats

The Materials Project. Materials Data on YIn7Cu5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672784.
The Materials Project. Materials Data on YIn7Cu5 by Materials Project. United States. doi:https://doi.org/10.17188/1672784
The Materials Project. 2020. "Materials Data on YIn7Cu5 by Materials Project". United States. doi:https://doi.org/10.17188/1672784. https://www.osti.gov/servlets/purl/1672784. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672784,
title = {Materials Data on YIn7Cu5 by Materials Project},
author = {The Materials Project},
abstractNote = {YCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Y–Cu bond distances ranging from 3.52–3.66 Å. There are a spread of Y–In bond distances ranging from 3.15–3.54 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.72–2.84 Å. There are a spread of Cu–In bond distances ranging from 2.71–3.00 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.77–3.00 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.02–3.14 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Y, six Cu, and three In atoms. Both In–In bond lengths are 3.28 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Y, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.01–3.11 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.94 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Y, five Cu, and five In atoms.},
doi = {10.17188/1672784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}