DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd2Sb4Ir3 by Materials Project

Abstract

Nd2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.23–3.69 Å. There are a spread of Nd–Sb bond distances ranging from 3.34–3.90 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.29–3.62 Å. There are a spread of Nd–Sb bond distances ranging from 3.27–3.85 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five Nd and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.74 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Nd, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.03 Å. There are one shorter (2.61 Å) and three longer (2.66 Å) Ir–Sb bond lengths. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Nd andmore » five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.60–2.69 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Nd and three Ir atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four Nd and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Nd and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Nd and four Ir atoms.« less

Publication Date:
Other Number(s):
mp-1197956
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; Nd2Sb4Ir3; Ir-Nd-Sb
OSTI Identifier:
1744305
DOI:
https://doi.org/10.17188/1744305

Citation Formats

The Materials Project. Materials Data on Nd2Sb4Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744305.
The Materials Project. Materials Data on Nd2Sb4Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1744305
The Materials Project. 2020. "Materials Data on Nd2Sb4Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1744305. https://www.osti.gov/servlets/purl/1744305. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744305,
title = {Materials Data on Nd2Sb4Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.23–3.69 Å. There are a spread of Nd–Sb bond distances ranging from 3.34–3.90 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.29–3.62 Å. There are a spread of Nd–Sb bond distances ranging from 3.27–3.85 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five Nd and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.74 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Nd, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.03 Å. There are one shorter (2.61 Å) and three longer (2.66 Å) Ir–Sb bond lengths. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Nd and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.60–2.69 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Nd and three Ir atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four Nd and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Nd and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Nd and four Ir atoms.},
doi = {10.17188/1744305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}