U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y4RuI5 by Materials Project
Abstract
Y4RuI5 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Y–Ru bond length is 2.71 Å. There are a spread of Y–I bond distances ranging from 3.13–3.54 Å. In the second Y site, Y is bonded to three equivalent Ru and three I atoms to form edge-sharing YRu3I3 octahedra. There are two shorter (2.84 Å) and one longer (2.86 Å) Y–Ru bond lengths. There are one shorter (3.24 Å) and two longer (3.38 Å) Y–I bond lengths. In the third Y site, Y is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Y–Ru bond length is 2.69 Å. There are a spread of Y–I bond distances ranging from 3.13–3.56 Å. Ru is bonded to six Y atoms to form edge-sharing RuY6 octahedra. There are four inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Y atoms. In the second I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the third I site, Imore »
- Publication Date:
- Other Number(s):
- mp-28840
- 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; I-Ru-Y; Y4RuI5; crystal structure
- OSTI Identifier:
- 1202926
- DOI:
- https://doi.org/10.17188/1202926
Citation Formats
Materials Data on Y4RuI5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202926.
Materials Data on Y4RuI5 by Materials Project. United States. doi:https://doi.org/10.17188/1202926
2020.
"Materials Data on Y4RuI5 by Materials Project". United States. doi:https://doi.org/10.17188/1202926. https://www.osti.gov/servlets/purl/1202926. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1202926,
title = {Materials Data on Y4RuI5 by Materials Project},
abstractNote = {Y4RuI5 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Y–Ru bond length is 2.71 Å. There are a spread of Y–I bond distances ranging from 3.13–3.54 Å. In the second Y site, Y is bonded to three equivalent Ru and three I atoms to form edge-sharing YRu3I3 octahedra. There are two shorter (2.84 Å) and one longer (2.86 Å) Y–Ru bond lengths. There are one shorter (3.24 Å) and two longer (3.38 Å) Y–I bond lengths. In the third Y site, Y is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Y–Ru bond length is 2.69 Å. There are a spread of Y–I bond distances ranging from 3.13–3.56 Å. Ru is bonded to six Y atoms to form edge-sharing RuY6 octahedra. There are four inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Y atoms. In the second I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to three Y atoms.},
doi = {10.17188/1202926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}