U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeSi2Ni9 by Materials Project
Abstract
CeNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Ni and four equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 3.01–3.17 Å. All Ce–Si bond lengths are 3.36 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Ce, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.60 Å. All Ni–Si bond lengths are 2.56 Å. In the second Ni site, Ni is bonded to two equivalent Ce, eight Ni, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NiCe2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.58 Å. There are one shorter (2.32 Å) and one longer (2.36 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to two equivalent Ce and ten Ni atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191823
- 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; CeSi2Ni9; Ce-Ni-Si
- OSTI Identifier:
- 1685869
- DOI:
- https://doi.org/10.17188/1685869
Citation Formats
The Materials Project. Materials Data on CeSi2Ni9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685869.
The Materials Project. Materials Data on CeSi2Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1685869
The Materials Project. 2020.
"Materials Data on CeSi2Ni9 by Materials Project". United States. doi:https://doi.org/10.17188/1685869. https://www.osti.gov/servlets/purl/1685869. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685869,
title = {Materials Data on CeSi2Ni9 by Materials Project},
author = {The Materials Project},
abstractNote = {CeNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Ni and four equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 3.01–3.17 Å. All Ce–Si bond lengths are 3.36 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Ce, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.60 Å. All Ni–Si bond lengths are 2.56 Å. In the second Ni site, Ni is bonded to two equivalent Ce, eight Ni, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NiCe2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.58 Å. There are one shorter (2.32 Å) and one longer (2.36 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to two equivalent Ce and ten Ni atoms.},
doi = {10.17188/1685869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}