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Title: Materials Data on La3NbSb5 by Materials Project

Abstract

La3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of La–Sb bond distances ranging from 3.22–3.48 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 La3+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbLa5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent La3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.16 Å.

Publication Date:
Other Number(s):
mp-1211294
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; La3NbSb5; La-Nb-Sb
OSTI Identifier:
1662342
DOI:
https://doi.org/10.17188/1662342

Citation Formats

The Materials Project. Materials Data on La3NbSb5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662342.
The Materials Project. Materials Data on La3NbSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1662342
The Materials Project. 2020. "Materials Data on La3NbSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1662342. https://www.osti.gov/servlets/purl/1662342. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1662342,
title = {Materials Data on La3NbSb5 by Materials Project},
author = {The Materials Project},
abstractNote = {La3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of La–Sb bond distances ranging from 3.22–3.48 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 La3+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbLa5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent La3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.16 Å.},
doi = {10.17188/1662342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}