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Title: Materials Data on LaSbSe3 by Materials Project

Abstract

LaSbSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.58 Å. Sb3+ is bonded to six Se2- atoms to form distorted edge-sharing SbSe6 octahedra. There are a spread of Sb–Se bond distances ranging from 2.62–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent La3+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded to three equivalent La3+ and two equivalent Sb3+ atoms to form distorted edge-sharing SeLa3Sb2 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent La3+ and three equivalent Sb3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222966
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; LaSbSe3; La-Sb-Se
OSTI Identifier:
1739367
DOI:
https://doi.org/10.17188/1739367

Citation Formats

The Materials Project. Materials Data on LaSbSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739367.
The Materials Project. Materials Data on LaSbSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1739367
The Materials Project. 2020. "Materials Data on LaSbSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1739367. https://www.osti.gov/servlets/purl/1739367. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1739367,
title = {Materials Data on LaSbSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaSbSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.58 Å. Sb3+ is bonded to six Se2- atoms to form distorted edge-sharing SbSe6 octahedra. There are a spread of Sb–Se bond distances ranging from 2.62–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent La3+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded to three equivalent La3+ and two equivalent Sb3+ atoms to form distorted edge-sharing SeLa3Sb2 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent La3+ and three equivalent Sb3+ atoms.},
doi = {10.17188/1739367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}