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Title: Materials Data on YMg6Ni by Materials Project

Abstract

Mg6YNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to one Mg and two equivalent Ni atoms. The Mg–Mg bond length is 3.09 Å. Both Mg–Ni bond lengths are 3.00 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. There are two shorter (3.02 Å) and four longer (3.07 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.12 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one Ni atom. The Mg–Ni bond length is 2.90 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Ni atoms. Both Mg–Ni bond lengths are 3.11 Å. Y is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent Ni atoms. Both Y–Ni bond lengths are 2.99 Å. Ni is bonded in a 10-coordinate geometry to eight Mg and two equivalent Y atoms.

Authors:
Publication Date:
Other Number(s):
mp-1099266
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; YMg6Ni; Mg-Ni-Y
OSTI Identifier:
1744571
DOI:
https://doi.org/10.17188/1744571

Citation Formats

The Materials Project. Materials Data on YMg6Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744571.
The Materials Project. Materials Data on YMg6Ni by Materials Project. United States. doi:https://doi.org/10.17188/1744571
The Materials Project. 2020. "Materials Data on YMg6Ni by Materials Project". United States. doi:https://doi.org/10.17188/1744571. https://www.osti.gov/servlets/purl/1744571. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744571,
title = {Materials Data on YMg6Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6YNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to one Mg and two equivalent Ni atoms. The Mg–Mg bond length is 3.09 Å. Both Mg–Ni bond lengths are 3.00 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. There are two shorter (3.02 Å) and four longer (3.07 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.12 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one Ni atom. The Mg–Ni bond length is 2.90 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Ni atoms. Both Mg–Ni bond lengths are 3.11 Å. Y is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent Ni atoms. Both Y–Ni bond lengths are 2.99 Å. Ni is bonded in a 10-coordinate geometry to eight Mg and two equivalent Y atoms.},
doi = {10.17188/1744571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}