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Title: Materials Data on Nb4C3 by Materials Project

Abstract

Nb4C3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Nb–C bond lengths are 2.24 Å. In the second Nb3+ site, Nb3+ is bonded to six equivalent C4- atoms to form corner-sharing NbC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.24 Å. C4- is bonded to six Nb3+ atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-15660
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; Nb4C3; C-Nb
OSTI Identifier:
1191307
DOI:
10.17188/1191307

Citation Formats

The Materials Project. Materials Data on Nb4C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191307.
The Materials Project. Materials Data on Nb4C3 by Materials Project. United States. doi:10.17188/1191307.
The Materials Project. 2020. "Materials Data on Nb4C3 by Materials Project". United States. doi:10.17188/1191307. https://www.osti.gov/servlets/purl/1191307. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191307,
title = {Materials Data on Nb4C3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb4C3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Nb–C bond lengths are 2.24 Å. In the second Nb3+ site, Nb3+ is bonded to six equivalent C4- atoms to form corner-sharing NbC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.24 Å. C4- is bonded to six Nb3+ atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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