U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErNiSn4 by Materials Project
Abstract
ErNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.20–3.46 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. There are one shorter (3.07 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. The Sn–Sn bond length is 3.09 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and twomore »
- Publication Date:
- Other Number(s):
- mp-1212981
- 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-Sn; ErNiSn4; crystal structure
- OSTI Identifier:
- 1663786
- DOI:
- https://doi.org/10.17188/1663786
Citation Formats
Materials Data on ErNiSn4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663786.
Materials Data on ErNiSn4 by Materials Project. United States. doi:https://doi.org/10.17188/1663786
2020.
"Materials Data on ErNiSn4 by Materials Project". United States. doi:https://doi.org/10.17188/1663786. https://www.osti.gov/servlets/purl/1663786. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1663786,
title = {Materials Data on ErNiSn4 by Materials Project},
abstractNote = {ErNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.20–3.46 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. There are one shorter (3.07 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. The Sn–Sn bond length is 3.09 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.},
doi = {10.17188/1663786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}