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Title: Materials Data on CeSi4Ni9 by Materials Project

Abstract

CeNi9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.27 Å. There are three inequivalent Ni+1.44+ sites. In the first Ni+1.44+ site, Ni+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Si bond lengths. In the second Ni+1.44+ site, Ni+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.29–2.50 Å. In the third Ni+1.44+ site, Ni+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Ce3+, nine Ni+1.44+, and one Si4- atom. The Si–Si bond length is 2.68 Å.

Authors:
Publication Date:
Other Number(s):
mp-31051
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; CeSi4Ni9; Ce-Ni-Si
OSTI Identifier:
1205378
DOI:
https://doi.org/10.17188/1205378

Citation Formats

The Materials Project. Materials Data on CeSi4Ni9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205378.
The Materials Project. Materials Data on CeSi4Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1205378
The Materials Project. 2020. "Materials Data on CeSi4Ni9 by Materials Project". United States. doi:https://doi.org/10.17188/1205378. https://www.osti.gov/servlets/purl/1205378. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205378,
title = {Materials Data on CeSi4Ni9 by Materials Project},
author = {The Materials Project},
abstractNote = {CeNi9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.27 Å. There are three inequivalent Ni+1.44+ sites. In the first Ni+1.44+ site, Ni+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Si bond lengths. In the second Ni+1.44+ site, Ni+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.29–2.50 Å. In the third Ni+1.44+ site, Ni+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Ce3+, nine Ni+1.44+, and one Si4- atom. The Si–Si bond length is 2.68 Å.},
doi = {10.17188/1205378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}