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Title: Materials Data on Y3(SiNi)2 by Materials Project

Abstract

Y3(NiSi)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Si atoms. Both Y–Ni bond lengths are 2.79 Å. There are four shorter (2.98 Å) and one longer (3.08 Å) Y–Si bond lengths. In the second Y site, Y is bonded to eight equivalent Ni and four equivalent Si atoms to form a mixture of edge and face-sharing YSi4Ni8 cuboctahedra. All Y–Ni bond lengths are 3.12 Å. All Y–Si bond lengths are 3.12 Å. Ni is bonded in a 9-coordinate geometry to six Y, one Ni, and two equivalent Si atoms. The Ni–Ni bond length is 2.36 Å. Both Ni–Si bond lengths are 2.34 Å. Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1207763
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; Y3(SiNi)2; Ni-Si-Y
OSTI Identifier:
1741773
DOI:
https://doi.org/10.17188/1741773

Citation Formats

The Materials Project. Materials Data on Y3(SiNi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741773.
The Materials Project. Materials Data on Y3(SiNi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1741773
The Materials Project. 2020. "Materials Data on Y3(SiNi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1741773. https://www.osti.gov/servlets/purl/1741773. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741773,
title = {Materials Data on Y3(SiNi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3(NiSi)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Si atoms. Both Y–Ni bond lengths are 2.79 Å. There are four shorter (2.98 Å) and one longer (3.08 Å) Y–Si bond lengths. In the second Y site, Y is bonded to eight equivalent Ni and four equivalent Si atoms to form a mixture of edge and face-sharing YSi4Ni8 cuboctahedra. All Y–Ni bond lengths are 3.12 Å. All Y–Si bond lengths are 3.12 Å. Ni is bonded in a 9-coordinate geometry to six Y, one Ni, and two equivalent Si atoms. The Ni–Ni bond length is 2.36 Å. Both Ni–Si bond lengths are 2.34 Å. Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Ni atoms.},
doi = {10.17188/1741773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}