U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-672335
- 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; YIn2Ni9; In-Ni-Y
- OSTI Identifier:
- 1281847
- DOI:
- https://doi.org/10.17188/1281847
Citation Formats
The Materials Project. Materials Data on YIn2Ni9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281847.
The Materials Project. Materials Data on YIn2Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1281847
The Materials Project. 2020.
"Materials Data on YIn2Ni9 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}