U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErSiNi by Materials Project
Abstract
ErNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Si4- atoms to form distorted ErSi6 octahedra that share corners with twelve equivalent ErSi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent ErSi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent ErSi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of Er–Si bond distances ranging from 2.87–3.04 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent ErSi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent ErSi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 4–66°. There are a spread of Ni–Si bond distances ranging from 2.39–2.54 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Er3+ and four equivalent Ni1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1213005
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-Ni-Si; ErSiNi; crystal structure
- OSTI Identifier:
- 1732882
- DOI:
- https://doi.org/10.17188/1732882
Citation Formats
Materials Data on ErSiNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732882.
Materials Data on ErSiNi by Materials Project. United States. doi:https://doi.org/10.17188/1732882
2020.
"Materials Data on ErSiNi by Materials Project". United States. doi:https://doi.org/10.17188/1732882. https://www.osti.gov/servlets/purl/1732882. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732882,
title = {Materials Data on ErSiNi by Materials Project},
abstractNote = {ErNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Si4- atoms to form distorted ErSi6 octahedra that share corners with twelve equivalent ErSi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent ErSi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent ErSi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of Er–Si bond distances ranging from 2.87–3.04 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent ErSi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent ErSi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 4–66°. There are a spread of Ni–Si bond distances ranging from 2.39–2.54 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Er3+ and four equivalent Ni1+ atoms.},
doi = {10.17188/1732882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}