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Title: Materials Data on PrS2 by Materials Project

Abstract

PrS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.87–3.20 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom. The S–S bond length is 2.15 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555096
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; PrS2; Pr-S
OSTI Identifier:
1268628
DOI:
10.17188/1268628

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PrS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268628.
Persson, Kristin, & Project, Materials. Materials Data on PrS2 by Materials Project. United States. doi:10.17188/1268628.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PrS2 by Materials Project". United States. doi:10.17188/1268628. https://www.osti.gov/servlets/purl/1268628. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268628,
title = {Materials Data on PrS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PrS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.87–3.20 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom. The S–S bond length is 2.15 Å.},
doi = {10.17188/1268628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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