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Title: Materials Data on Y6RhI10 by Materials Project

Abstract

Y6RhI10 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 Rh and five I atoms to form a mixture of distorted edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Rh bond length is 2.66 Å. There are a spread of Y–I bond distances ranging from 3.06–3.38 Å. In the second Y site, Y is bonded to one Rh and five I atoms to form a mixture of edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Y–Rh bond length is 2.76 Å. There are a spread of Y–I bond distances ranging from 3.02–3.30 Å. In the third Y site, Y is bonded to one Rh and five I atoms to form a mixture of edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Rh bond length is 2.73 Å. There are a spread of Y–I bond distances ranging from 3.12–3.33 Å. Rh 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 3-coordinate geometry to three Y atoms. In the fourth I site, I is bonded in a see-saw-like geometry to four Y atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Y atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207685
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y6RhI10; I-Rh-Y
OSTI Identifier:
1732715
DOI:
https://doi.org/10.17188/1732715

Citation Formats

The Materials Project. Materials Data on Y6RhI10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732715.
The Materials Project. Materials Data on Y6RhI10 by Materials Project. United States. doi:https://doi.org/10.17188/1732715
The Materials Project. 2020. "Materials Data on Y6RhI10 by Materials Project". United States. doi:https://doi.org/10.17188/1732715. https://www.osti.gov/servlets/purl/1732715. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732715,
title = {Materials Data on Y6RhI10 by Materials Project},
author = {The Materials Project},
abstractNote = {Y6RhI10 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 Rh and five I atoms to form a mixture of distorted edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Rh bond length is 2.66 Å. There are a spread of Y–I bond distances ranging from 3.06–3.38 Å. In the second Y site, Y is bonded to one Rh and five I atoms to form a mixture of edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Y–Rh bond length is 2.76 Å. There are a spread of Y–I bond distances ranging from 3.02–3.30 Å. In the third Y site, Y is bonded to one Rh and five I atoms to form a mixture of edge and corner-sharing YRhI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Rh bond length is 2.73 Å. There are a spread of Y–I bond distances ranging from 3.12–3.33 Å. Rh 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 3-coordinate geometry to three Y atoms. In the fourth I site, I is bonded in a see-saw-like geometry to four Y atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Y atoms.},
doi = {10.17188/1732715},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}