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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-28864
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y6IrI10; I-Ir-Y
OSTI Identifier:
1202944
DOI:
https://doi.org/10.17188/1202944

Citation Formats

The Materials Project. Materials Data on Y6IrI10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202944.
The Materials Project. Materials Data on Y6IrI10 by Materials Project. United States. doi:https://doi.org/10.17188/1202944
The Materials Project. 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},
author = {The 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}
}