U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y6IrI10 by Materials Project
Abstract
Y6IrI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.75 Å. There are a spread of Y–I bond distances ranging from 3.12–3.33 Å. In the second Y site, Y is bonded to one Ir and five I atoms to form a mixture of distorted corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.67 Å. There are a spread of Y–I bond distances ranging from 3.06–3.38 Å. In the third Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Ir bond length is 2.77 Å. There are a spread of Y–I bond distances ranging from 3.02–3.31 Å. Ir is bonded in an octahedral geometry to six Y atoms. There are five inequivalent I sites. In the first I site, I is bondedmore »
- Publication Date:
- Other Number(s):
- mp-28864
- 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-Ir-Y; Y6IrI10; crystal structure
- OSTI Identifier:
- 1202944
- DOI:
- https://doi.org/10.17188/1202944
Citation Formats
Materials Data on Y6IrI10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202944.
Materials Data on Y6IrI10 by Materials Project. United States. doi:https://doi.org/10.17188/1202944
2020.
"Materials Data on Y6IrI10 by Materials Project". United States. doi:https://doi.org/10.17188/1202944. https://www.osti.gov/servlets/purl/1202944. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1202944,
title = {Materials Data on Y6IrI10 by Materials Project},
abstractNote = {Y6IrI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.75 Å. There are a spread of Y–I bond distances ranging from 3.12–3.33 Å. In the second Y site, Y is bonded to one Ir and five I atoms to form a mixture of distorted corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ir bond length is 2.67 Å. There are a spread of Y–I bond distances ranging from 3.06–3.38 Å. In the third Y site, Y is bonded to one Ir and five I atoms to form a mixture of corner and edge-sharing YIrI5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Ir bond length is 2.77 Å. There are a spread of Y–I bond distances ranging from 3.02–3.31 Å. Ir is bonded in an octahedral geometry to six Y atoms. There are five inequivalent I sites. In the first I site, I is bonded in a distorted L-shaped geometry to two Y atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the fourth I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three Y atoms.},
doi = {10.17188/1202944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}