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Title: Materials Data on YIn2Ni9 by Materials Project

Abstract

YNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.00 Å) and eight longer (3.26 Å) Y–Ni bond lengths. All Y–In bond lengths are 3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Y, seven Ni, and three equivalent In atoms to form distorted NiY2In3Ni7 cuboctahedra that share corners with eighteen NiY2In3Ni7 cuboctahedra, edges with nine NiY2In2Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. There are one shorter (2.61 Å) and two longer (2.78 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Y, eight Ni, and two equivalent In atoms to form a mixture of distorted edge, corner, and face-sharing NiY2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.66 Å. Both Ni–In bond lengths are 2.82 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiY2In2Ni8 cuboctahedra, edgesmore » with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to two equivalent Y, twelve Ni, and one In atom. The In–In bond length is 2.92 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672335
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; YIn2Ni9; In-Ni-Y
OSTI Identifier:
1281847
DOI:
10.17188/1281847

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YIn2Ni9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281847.
Persson, Kristin, & Project, Materials. Materials Data on YIn2Ni9 by Materials Project. United States. doi:10.17188/1281847.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YIn2Ni9 by Materials Project". United States. doi:10.17188/1281847. https://www.osti.gov/servlets/purl/1281847. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1281847,
title = {Materials Data on YIn2Ni9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.00 Å) and eight longer (3.26 Å) Y–Ni bond lengths. All Y–In bond lengths are 3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Y, seven Ni, and three equivalent In atoms to form distorted NiY2In3Ni7 cuboctahedra that share corners with eighteen NiY2In3Ni7 cuboctahedra, edges with nine NiY2In2Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. There are one shorter (2.61 Å) and two longer (2.78 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Y, eight Ni, and two equivalent In atoms to form a mixture of distorted edge, corner, and face-sharing NiY2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.66 Å. Both Ni–In bond lengths are 2.82 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiY2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to two equivalent Y, twelve Ni, and one In atom. The In–In bond length is 2.92 Å.},
doi = {10.17188/1281847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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