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Title: Materials Data on NbIr by Materials Project

Abstract

IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.86 Å. In the second Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra. In the second Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1095683
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; NbIr; Ir-Nb
OSTI Identifier:
1722040
DOI:
https://doi.org/10.17188/1722040

Citation Formats

The Materials Project. Materials Data on NbIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722040.
The Materials Project. Materials Data on NbIr by Materials Project. United States. doi:https://doi.org/10.17188/1722040
The Materials Project. 2020. "Materials Data on NbIr by Materials Project". United States. doi:https://doi.org/10.17188/1722040. https://www.osti.gov/servlets/purl/1722040. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722040,
title = {Materials Data on NbIr by Materials Project},
author = {The Materials Project},
abstractNote = {IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.86 Å. In the second Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra. In the second Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra.},
doi = {10.17188/1722040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}