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Title: Materials Data on Nb2Al3Ir by Materials Project

Abstract

Nb2IrAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to four equivalent Nb, three equivalent Ir, and nine equivalent Al atoms. There are one shorter (2.83 Å) and three longer (3.24 Å) Nb–Nb bond lengths. All Nb–Ir bond lengths are 3.07 Å. There are six shorter (2.97 Å) and three longer (2.98 Å) Nb–Al bond lengths. Ir is bonded to six equivalent Nb and six equivalent Al atoms to form a mixture of distorted edge and face-sharing IrNb6Al6 cuboctahedra. All Ir–Al bond lengths are 2.52 Å. Al is bonded in a distorted water-like geometry to six equivalent Nb and two equivalent Ir atoms.

Publication Date:
Other Number(s):
mp-1220700
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; Nb2Al3Ir; Al-Ir-Nb
OSTI Identifier:
1710672
DOI:
https://doi.org/10.17188/1710672

Citation Formats

The Materials Project. Materials Data on Nb2Al3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710672.
The Materials Project. Materials Data on Nb2Al3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1710672
The Materials Project. 2020. "Materials Data on Nb2Al3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1710672. https://www.osti.gov/servlets/purl/1710672. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710672,
title = {Materials Data on Nb2Al3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2IrAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to four equivalent Nb, three equivalent Ir, and nine equivalent Al atoms. There are one shorter (2.83 Å) and three longer (3.24 Å) Nb–Nb bond lengths. All Nb–Ir bond lengths are 3.07 Å. There are six shorter (2.97 Å) and three longer (2.98 Å) Nb–Al bond lengths. Ir is bonded to six equivalent Nb and six equivalent Al atoms to form a mixture of distorted edge and face-sharing IrNb6Al6 cuboctahedra. All Ir–Al bond lengths are 2.52 Å. Al is bonded in a distorted water-like geometry to six equivalent Nb and two equivalent Ir atoms.},
doi = {10.17188/1710672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}