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Title: Materials Data on Ho5RuI7 by Materials Project

Abstract

Ho5RuI7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ru and three equivalent I atoms to form edge-sharing HoRu3I3 octahedra. All Ho–Ru bond lengths are 2.80 Å. All Ho–I bond lengths are 3.29 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Ho–Ru bond length is 2.68 Å. There are a spread of Ho–I bond distances ranging from 3.15–3.49 Å. In the third Ho site, Ho is bonded to six I atoms to form edge-sharing HoI6 octahedra. There are three shorter (3.07 Å) and three longer (3.08 Å) Ho–I bond lengths. Ru is bonded to six Ho atoms to form edge-sharing RuHo6 octahedra. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Ho atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Ho atoms.

Authors:
Publication Date:
Other Number(s):
mp-1202510
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; Ho5RuI7; Ho-I-Ru
OSTI Identifier:
1681619
DOI:
https://doi.org/10.17188/1681619

Citation Formats

The Materials Project. Materials Data on Ho5RuI7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681619.
The Materials Project. Materials Data on Ho5RuI7 by Materials Project. United States. doi:https://doi.org/10.17188/1681619
The Materials Project. 2019. "Materials Data on Ho5RuI7 by Materials Project". United States. doi:https://doi.org/10.17188/1681619. https://www.osti.gov/servlets/purl/1681619. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1681619,
title = {Materials Data on Ho5RuI7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho5RuI7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ru and three equivalent I atoms to form edge-sharing HoRu3I3 octahedra. All Ho–Ru bond lengths are 2.80 Å. All Ho–I bond lengths are 3.29 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Ho–Ru bond length is 2.68 Å. There are a spread of Ho–I bond distances ranging from 3.15–3.49 Å. In the third Ho site, Ho is bonded to six I atoms to form edge-sharing HoI6 octahedra. There are three shorter (3.07 Å) and three longer (3.08 Å) Ho–I bond lengths. Ru is bonded to six Ho atoms to form edge-sharing RuHo6 octahedra. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Ho atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Ho atoms.},
doi = {10.17188/1681619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}