U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErSiNi3 by Materials Project
Abstract
ErNi3Si crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve Ni and four equivalent Si atoms. There are a spread of Er–Ni bond distances ranging from 2.83–3.22 Å. All Er–Si bond lengths are 2.99 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Er, six Ni, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NiEr4Si2Ni6 cuboctahedra. There are two shorter (2.43 Å) and four longer (2.68 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ni, and one Si atom. The Ni–Si bond length is 2.24 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er and five Ni atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225459
- 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; ErSiNi3; Er-Ni-Si
- OSTI Identifier:
- 1682845
- DOI:
- https://doi.org/10.17188/1682845
Citation Formats
The Materials Project. Materials Data on ErSiNi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682845.
The Materials Project. Materials Data on ErSiNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1682845
The Materials Project. 2020.
"Materials Data on ErSiNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1682845. https://www.osti.gov/servlets/purl/1682845. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682845,
title = {Materials Data on ErSiNi3 by Materials Project},
author = {The Materials Project},
abstractNote = {ErNi3Si crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve Ni and four equivalent Si atoms. There are a spread of Er–Ni bond distances ranging from 2.83–3.22 Å. All Er–Si bond lengths are 2.99 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Er, six Ni, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NiEr4Si2Ni6 cuboctahedra. There are two shorter (2.43 Å) and four longer (2.68 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ni, and one Si atom. The Ni–Si bond length is 2.24 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er and five Ni atoms.},
doi = {10.17188/1682845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}