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Title: Materials Data on Gd2Si3Ni by Materials Project

Abstract

Gd2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing GdSi9Ni3 cuboctahedra. There are two shorter (3.04 Å) and one longer (3.05 Å) Gd–Ni bond lengths. There are a spread of Gd–Si bond distances ranging from 3.04–3.14 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Ni–Si bond lengths are 2.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. There are two shorter (2.34 Å) and one longer (2.35 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-1224775
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; Gd2Si3Ni; Gd-Ni-Si
OSTI Identifier:
1696051
DOI:
https://doi.org/10.17188/1696051

Citation Formats

The Materials Project. Materials Data on Gd2Si3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696051.
The Materials Project. Materials Data on Gd2Si3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1696051
The Materials Project. 2020. "Materials Data on Gd2Si3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1696051. https://www.osti.gov/servlets/purl/1696051. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1696051,
title = {Materials Data on Gd2Si3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing GdSi9Ni3 cuboctahedra. There are two shorter (3.04 Å) and one longer (3.05 Å) Gd–Ni bond lengths. There are a spread of Gd–Si bond distances ranging from 3.04–3.14 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Ni–Si bond lengths are 2.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. There are two shorter (2.34 Å) and one longer (2.35 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms.},
doi = {10.17188/1696051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}