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

Title: Materials Data on Nd11In9Ni4 by Materials Project

Abstract

Nd11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Nd–Ni bond lengths are 2.81 Å. There are a spread of Nd–In bond distances ranging from 3.22–3.54 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Nd–Ni bond lengths are 2.97 Å. There are two shorter (3.35 Å) and four longer (3.42 Å) Nd–In bond lengths. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.31 Å) and four longer (3.55 Å) Nd–In bond lengths. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.29 Å. In the fifth Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Nd–Ni bond lengths are 2.96 Å. There are two shorter (3.33 Å) and four longer (3.41 Å) Nd–In bond lengths. Ni is bonded in amore » 6-coordinate geometry to six Nd and three In atoms. There are a spread of Ni–In bond distances ranging from 2.99–3.17 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Nd, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Nd, one Ni, and one In atom. The In–In bond length is 3.10 Å. In the third In site, In is bonded to eight Nd and four equivalent Ni atoms to form face-sharing InNd8Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-985562
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; Nd11In9Ni4; In-Nd-Ni
OSTI Identifier:
1316692
DOI:
10.17188/1316692

Citation Formats

The Materials Project. Materials Data on Nd11In9Ni4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316692.
The Materials Project. Materials Data on Nd11In9Ni4 by Materials Project. United States. doi:10.17188/1316692.
The Materials Project. 2020. "Materials Data on Nd11In9Ni4 by Materials Project". United States. doi:10.17188/1316692. https://www.osti.gov/servlets/purl/1316692. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316692,
title = {Materials Data on Nd11In9Ni4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Nd–Ni bond lengths are 2.81 Å. There are a spread of Nd–In bond distances ranging from 3.22–3.54 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Nd–Ni bond lengths are 2.97 Å. There are two shorter (3.35 Å) and four longer (3.42 Å) Nd–In bond lengths. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.31 Å) and four longer (3.55 Å) Nd–In bond lengths. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.29 Å. In the fifth Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Nd–Ni bond lengths are 2.96 Å. There are two shorter (3.33 Å) and four longer (3.41 Å) Nd–In bond lengths. Ni is bonded in a 6-coordinate geometry to six Nd and three In atoms. There are a spread of Ni–In bond distances ranging from 2.99–3.17 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Nd, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Nd, one Ni, and one In atom. The In–In bond length is 3.10 Å. In the third In site, In is bonded to eight Nd and four equivalent Ni atoms to form face-sharing InNd8Ni4 cuboctahedra.},
doi = {10.17188/1316692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: