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Title: Materials Data on Ce2Sb4Ir3 by Materials Project

Abstract

Ce2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Ce–Ir bond distances ranging from 3.15–3.71 Å. There are a spread of Ce–Sb bond distances ranging from 3.34–3.83 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Ce–Ir bond distances ranging from 3.25–3.61 Å. There are a spread of Ce–Sb bond distances ranging from 3.23–3.82 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 7-coordinate geometry to five Ce and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.71 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Ce, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.01 Å. There are a spread of Ir–Sb bond distances ranging from 2.62–2.67 Å. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Ce and five Sbmore » atoms. There are a spread of Ir–Sb bond distances ranging from 2.57–2.67 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Ce and three Ir atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four Ce and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Ce and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Ce and four Ir atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1196528
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; Ce2Sb4Ir3; Ce-Ir-Sb
OSTI Identifier:
1698906
DOI:
https://doi.org/10.17188/1698906

Citation Formats

The Materials Project. Materials Data on Ce2Sb4Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698906.
The Materials Project. Materials Data on Ce2Sb4Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1698906
The Materials Project. 2020. "Materials Data on Ce2Sb4Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1698906. https://www.osti.gov/servlets/purl/1698906. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1698906,
title = {Materials Data on Ce2Sb4Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Ce–Ir bond distances ranging from 3.15–3.71 Å. There are a spread of Ce–Sb bond distances ranging from 3.34–3.83 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Ce–Ir bond distances ranging from 3.25–3.61 Å. There are a spread of Ce–Sb bond distances ranging from 3.23–3.82 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 7-coordinate geometry to five Ce and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.71 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Ce, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.01 Å. There are a spread of Ir–Sb bond distances ranging from 2.62–2.67 Å. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Ce and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.57–2.67 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Ce and three Ir atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four Ce and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Ce and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Ce and four Ir atoms.},
doi = {10.17188/1698906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}