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Title: Materials Data on YAl3Ni2 by Materials Project

Abstract

YNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Y–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.31 Å) Y–Al bond lengths. In the second Y site, Y is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Y and six Al atoms. All Ni–Al bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-5063
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; YAl3Ni2; Al-Ni-Y
OSTI Identifier:
1262784
DOI:
https://doi.org/10.17188/1262784

Citation Formats

The Materials Project. Materials Data on YAl3Ni2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262784.
The Materials Project. Materials Data on YAl3Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1262784
The Materials Project. 2020. "Materials Data on YAl3Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1262784. https://www.osti.gov/servlets/purl/1262784. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262784,
title = {Materials Data on YAl3Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {YNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Y–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.31 Å) Y–Al bond lengths. In the second Y site, Y is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Y and six Al atoms. All Ni–Al bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Ni atoms.},
doi = {10.17188/1262784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}