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Title: Materials Data on Ce3NbSb5 by Materials Project

Abstract

Ce3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of Ce–Sb bond distances ranging from 3.16–3.34 Å. Nb5+ is bonded to six equivalent Sb+2.80- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.92 Å. There are two inequivalent Sb+2.80- sites. In the first Sb+2.80- site, Sb+2.80- is bonded to five equivalent Ce3+ and two equivalent Nb5+ atoms to form a mixture of edge, corner, and face-sharing SbCe5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent Ce3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.11 Å.

Authors:
Publication Date:
Other Number(s):
mp-1213895
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; Ce3NbSb5; Ce-Nb-Sb
OSTI Identifier:
1732259
DOI:
https://doi.org/10.17188/1732259

Citation Formats

The Materials Project. Materials Data on Ce3NbSb5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732259.
The Materials Project. Materials Data on Ce3NbSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1732259
The Materials Project. 2020. "Materials Data on Ce3NbSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1732259. https://www.osti.gov/servlets/purl/1732259. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1732259,
title = {Materials Data on Ce3NbSb5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of Ce–Sb bond distances ranging from 3.16–3.34 Å. Nb5+ is bonded to six equivalent Sb+2.80- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.92 Å. There are two inequivalent Sb+2.80- sites. In the first Sb+2.80- site, Sb+2.80- is bonded to five equivalent Ce3+ and two equivalent Nb5+ atoms to form a mixture of edge, corner, and face-sharing SbCe5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent Ce3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.11 Å.},
doi = {10.17188/1732259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}