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Title: Materials Data on PrSI by Materials Project

Abstract

PrSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. All Pr–S bond lengths are 2.86 Å. There are a spread of Pr–I bond distances ranging from 3.28–3.49 Å. S2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing SPr4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209328
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; PrSI; I-Pr-S
OSTI Identifier:
1711239
DOI:
https://doi.org/10.17188/1711239

Citation Formats

The Materials Project. Materials Data on PrSI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711239.
The Materials Project. Materials Data on PrSI by Materials Project. United States. doi:https://doi.org/10.17188/1711239
The Materials Project. 2020. "Materials Data on PrSI by Materials Project". United States. doi:https://doi.org/10.17188/1711239. https://www.osti.gov/servlets/purl/1711239. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711239,
title = {Materials Data on PrSI by Materials Project},
author = {The Materials Project},
abstractNote = {PrSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. All Pr–S bond lengths are 2.86 Å. There are a spread of Pr–I bond distances ranging from 3.28–3.49 Å. S2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing SPr4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.},
doi = {10.17188/1711239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}