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Title: Materials Data on LaLuS3 by Materials Project

Abstract

LaLuS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Lu–S bond distances ranging from 2.64–2.67 Å. La3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.52 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and three equivalent La3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and three equivalent La3+ atoms. In the third S2- site, S2- is bonded to two equivalent Lu3+ and two equivalent La3+ atoms to form distorted corner-sharing SLa2Lu2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1106374
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; LaLuS3; La-Lu-S
OSTI Identifier:
1695870
DOI:
https://doi.org/10.17188/1695870

Citation Formats

The Materials Project. Materials Data on LaLuS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695870.
The Materials Project. Materials Data on LaLuS3 by Materials Project. United States. doi:https://doi.org/10.17188/1695870
The Materials Project. 2020. "Materials Data on LaLuS3 by Materials Project". United States. doi:https://doi.org/10.17188/1695870. https://www.osti.gov/servlets/purl/1695870. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1695870,
title = {Materials Data on LaLuS3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaLuS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Lu–S bond distances ranging from 2.64–2.67 Å. La3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.52 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and three equivalent La3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and three equivalent La3+ atoms. In the third S2- site, S2- is bonded to two equivalent Lu3+ and two equivalent La3+ atoms to form distorted corner-sharing SLa2Lu2 trigonal pyramids.},
doi = {10.17188/1695870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}