DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PrLuS3 by Materials Project

Abstract

LuPrS3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Lu–S bond distances ranging from 2.62–2.71 Å. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.81–3.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Lu3+ and three equivalent Pr3+ atoms. In the second S2- site, S2- is bonded to two equivalent Lu3+ and two equivalent Pr3+ atoms to form distorted corner-sharing SPr2Lu2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1078537
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; PrLuS3; Lu-Pr-S
OSTI Identifier:
1748740
DOI:
https://doi.org/10.17188/1748740

Citation Formats

The Materials Project. Materials Data on PrLuS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748740.
The Materials Project. Materials Data on PrLuS3 by Materials Project. United States. doi:https://doi.org/10.17188/1748740
The Materials Project. 2020. "Materials Data on PrLuS3 by Materials Project". United States. doi:https://doi.org/10.17188/1748740. https://www.osti.gov/servlets/purl/1748740. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748740,
title = {Materials Data on PrLuS3 by Materials Project},
author = {The Materials Project},
abstractNote = {LuPrS3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Lu–S bond distances ranging from 2.62–2.71 Å. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.81–3.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Lu3+ and three equivalent Pr3+ atoms. In the second S2- site, S2- is bonded to two equivalent Lu3+ and two equivalent Pr3+ atoms to form distorted corner-sharing SPr2Lu2 tetrahedra.},
doi = {10.17188/1748740},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}