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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:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1268628
Report Number(s):
mp-555096
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; PrS2; Pr-S

Citation Formats

The Materials Project. Materials Data on PrS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268628.
The Materials Project. Materials Data on PrS2 by Materials Project. United States. https://doi.org/10.17188/1268628
The Materials Project. 2020. "Materials Data on PrS2 by Materials Project". United States. https://doi.org/10.17188/1268628. https://www.osti.gov/servlets/purl/1268628.
@article{osti_1268628,
title = {Materials Data on PrS2 by Materials Project},
author = {The Materials Project},
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},
url = {https://www.osti.gov/biblio/1268628}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}