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Title: Materials Data on Nb by Materials Project

Abstract

Nb is beta Plutonium-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Nb sites. In the first Nb site, Nb is bonded in a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.66–3.45 Å. In the second Nb site, Nb is bonded in a 1-coordinate geometry to twelve Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.66–3.31 Å. In the third Nb site, Nb is bonded in a 1-coordinate geometry to fourteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.68–3.44 Å. In the fourth Nb site, Nb is bonded in a 1-coordinate geometry to fourteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.96–3.35 Å. In the fifth Nb site, Nb is bonded in a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.64–3.38 Å. In the sixth Nb site, Nb is bonded in a 1-coordinate geometry to eleven Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.88–3.16 Å. In the seventh Nb site, Nb is bonded inmore » a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.71–3.12 Å. In the eighth Nb site, Nb is bonded to twelve Nb atoms to form a mixture of corner and face-sharing NbNb12 cuboctahedra. There are a spread of Nb–Nb bond distances ranging from 2.68–3.14 Å. In the ninth Nb site, Nb is bonded to twelve Nb atoms to form a mixture of corner and face-sharing NbNb12 cuboctahedra. There are a spread of Nb–Nb bond distances ranging from 2.82–2.92 Å. In the tenth Nb site, Nb is bonded in a 1-coordinate geometry to twelve Nb atoms. There are one shorter (2.88 Å) and one longer (3.14 Å) Nb–Nb bond lengths. In the eleventh Nb site, Nb is bonded in a 10-coordinate geometry to eleven Nb atoms. The Nb–Nb bond length is 2.68 Å. In the twelfth Nb site, Nb is bonded in a 10-coordinate geometry to eleven Nb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1094120
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; Nb; Nb
OSTI Identifier:
1742032
DOI:
https://doi.org/10.17188/1742032

Citation Formats

The Materials Project. Materials Data on Nb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742032.
The Materials Project. Materials Data on Nb by Materials Project. United States. doi:https://doi.org/10.17188/1742032
The Materials Project. 2020. "Materials Data on Nb by Materials Project". United States. doi:https://doi.org/10.17188/1742032. https://www.osti.gov/servlets/purl/1742032. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1742032,
title = {Materials Data on Nb by Materials Project},
author = {The Materials Project},
abstractNote = {Nb is beta Plutonium-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Nb sites. In the first Nb site, Nb is bonded in a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.66–3.45 Å. In the second Nb site, Nb is bonded in a 1-coordinate geometry to twelve Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.66–3.31 Å. In the third Nb site, Nb is bonded in a 1-coordinate geometry to fourteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.68–3.44 Å. In the fourth Nb site, Nb is bonded in a 1-coordinate geometry to fourteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.96–3.35 Å. In the fifth Nb site, Nb is bonded in a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.64–3.38 Å. In the sixth Nb site, Nb is bonded in a 1-coordinate geometry to eleven Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.88–3.16 Å. In the seventh Nb site, Nb is bonded in a 1-coordinate geometry to thirteen Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.71–3.12 Å. In the eighth Nb site, Nb is bonded to twelve Nb atoms to form a mixture of corner and face-sharing NbNb12 cuboctahedra. There are a spread of Nb–Nb bond distances ranging from 2.68–3.14 Å. In the ninth Nb site, Nb is bonded to twelve Nb atoms to form a mixture of corner and face-sharing NbNb12 cuboctahedra. There are a spread of Nb–Nb bond distances ranging from 2.82–2.92 Å. In the tenth Nb site, Nb is bonded in a 1-coordinate geometry to twelve Nb atoms. There are one shorter (2.88 Å) and one longer (3.14 Å) Nb–Nb bond lengths. In the eleventh Nb site, Nb is bonded in a 10-coordinate geometry to eleven Nb atoms. The Nb–Nb bond length is 2.68 Å. In the twelfth Nb site, Nb is bonded in a 10-coordinate geometry to eleven Nb atoms.},
doi = {10.17188/1742032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}