U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er4InIr by Materials Project
Abstract
Er4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 3.44 Å. Both Er–In bond lengths are 3.22 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Er–Ir bond lengths are 2.82 Å. All Er–In bond lengths are 3.42 Å. In the third Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 2.79 Å. Both Er–In bond lengths are 3.45 Å. Ir is bonded in a 6-coordinate geometry to nine Er atoms. In is bonded in a 12-coordinate geometry to nine Er and three equivalent In atoms. All In–In bond lengths are 3.19 Å.
- Publication Date:
- Other Number(s):
- mp-567685
- 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-In-Ir; Er4InIr; crystal structure
- OSTI Identifier:
- 1272993
- DOI:
- https://doi.org/10.17188/1272993
Citation Formats
Materials Data on Er4InIr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272993.
Materials Data on Er4InIr by Materials Project. United States. doi:https://doi.org/10.17188/1272993
2020.
"Materials Data on Er4InIr by Materials Project". United States. doi:https://doi.org/10.17188/1272993. https://www.osti.gov/servlets/purl/1272993. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272993,
title = {Materials Data on Er4InIr by Materials Project},
abstractNote = {Er4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 3.44 Å. Both Er–In bond lengths are 3.22 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Er–Ir bond lengths are 2.82 Å. All Er–In bond lengths are 3.42 Å. In the third Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 2.79 Å. Both Er–In bond lengths are 3.45 Å. Ir is bonded in a 6-coordinate geometry to nine Er atoms. In is bonded in a 12-coordinate geometry to nine Er and three equivalent In atoms. All In–In bond lengths are 3.19 Å.},
doi = {10.17188/1272993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}