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Title: Materials Data on Y4MgNi by Materials Project

Abstract

Y4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.52 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ni atoms. All Y–Y bond lengths are 3.63 Å. Both Y–Ni bond lengths are 2.80 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ni atoms. There are two shorter (3.53 Å) and four longer (3.56 Å) Y–Y bond lengths. Both Y–Ni bond lengths are 3.53 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ni atoms. All Y–Ni bond lengths are 2.81 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms.

Publication Date:
Other Number(s):
mp-1207825
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; Y4MgNi; Mg-Ni-Y
OSTI Identifier:
1677382
DOI:
https://doi.org/10.17188/1677382

Citation Formats

The Materials Project. Materials Data on Y4MgNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677382.
The Materials Project. Materials Data on Y4MgNi by Materials Project. United States. doi:https://doi.org/10.17188/1677382
The Materials Project. 2020. "Materials Data on Y4MgNi by Materials Project". United States. doi:https://doi.org/10.17188/1677382. https://www.osti.gov/servlets/purl/1677382. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677382,
title = {Materials Data on Y4MgNi by Materials Project},
author = {The Materials Project},
abstractNote = {Y4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.52 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ni atoms. All Y–Y bond lengths are 3.63 Å. Both Y–Ni bond lengths are 2.80 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ni atoms. There are two shorter (3.53 Å) and four longer (3.56 Å) Y–Y bond lengths. Both Y–Ni bond lengths are 3.53 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ni atoms. All Y–Ni bond lengths are 2.81 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms.},
doi = {10.17188/1677382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}