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Title: Materials Data on Ho3Ir2 by Materials Project

Abstract

Ho3Ir2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.88–3.46 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Ir atoms. There are two shorter (2.71 Å) and two longer (2.83 Å) Ho–Ir bond lengths. In the third Ho site, Ho is bonded to six Ir atoms to form distorted HoIr6 octahedra that share an edgeedge with one HoIr6 octahedra and an edgeedge with one HoIr4 tetrahedra. There are a spread of Ho–Ir bond distances ranging from 2.85–3.21 Å. In the fourth Ho site, Ho is bonded to four equivalent Ir atoms to form edge-sharing HoIr4 tetrahedra. All Ho–Ir bond lengths are 2.89 Å. In the fifth Ho site, Ho is bonded in a 5-coordinate geometry to six Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.77–3.43 Å. There are six inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ir site,more » Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the third Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In the fourth Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Ho atoms. In the fifth Ir site, Ir is bonded in a 6-coordinate geometry to eight Ho atoms. In the sixth Ir site, Ir is bonded in a 10-coordinate geometry to ten Ho atoms.« less

Publication Date:
Other Number(s):
mp-1198319
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; Ho3Ir2; Ho-Ir
OSTI Identifier:
1751061
DOI:
https://doi.org/10.17188/1751061

Citation Formats

The Materials Project. Materials Data on Ho3Ir2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751061.
The Materials Project. Materials Data on Ho3Ir2 by Materials Project. United States. doi:https://doi.org/10.17188/1751061
The Materials Project. 2020. "Materials Data on Ho3Ir2 by Materials Project". United States. doi:https://doi.org/10.17188/1751061. https://www.osti.gov/servlets/purl/1751061. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751061,
title = {Materials Data on Ho3Ir2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3Ir2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.88–3.46 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Ir atoms. There are two shorter (2.71 Å) and two longer (2.83 Å) Ho–Ir bond lengths. In the third Ho site, Ho is bonded to six Ir atoms to form distorted HoIr6 octahedra that share an edgeedge with one HoIr6 octahedra and an edgeedge with one HoIr4 tetrahedra. There are a spread of Ho–Ir bond distances ranging from 2.85–3.21 Å. In the fourth Ho site, Ho is bonded to four equivalent Ir atoms to form edge-sharing HoIr4 tetrahedra. All Ho–Ir bond lengths are 2.89 Å. In the fifth Ho site, Ho is bonded in a 5-coordinate geometry to six Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.77–3.43 Å. There are six inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the third Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In the fourth Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Ho atoms. In the fifth Ir site, Ir is bonded in a 6-coordinate geometry to eight Ho atoms. In the sixth Ir site, Ir is bonded in a 10-coordinate geometry to ten Ho atoms.},
doi = {10.17188/1751061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}