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Title: Materials Data on Pr5AgS8 by Materials Project

Abstract

Pr5AgS8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.86–3.18 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.87 Å) and four longer (3.06 Å) Pr–S bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.86 Å) and four longer (3.23 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom.

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:
1206839
Report Number(s):
mp-34486
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; Pr5AgS8; Ag-Pr-S

Citation Formats

The Materials Project. Materials Data on Pr5AgS8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206839.
The Materials Project. Materials Data on Pr5AgS8 by Materials Project. United States. https://doi.org/10.17188/1206839
The Materials Project. 2020. "Materials Data on Pr5AgS8 by Materials Project". United States. https://doi.org/10.17188/1206839. https://www.osti.gov/servlets/purl/1206839.
@article{osti_1206839,
title = {Materials Data on Pr5AgS8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr5AgS8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.86–3.18 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.87 Å) and four longer (3.06 Å) Pr–S bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.86 Å) and four longer (3.23 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom.},
doi = {10.17188/1206839},
url = {https://www.osti.gov/biblio/1206839}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}