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Title: Materials Data on Cs2PrF6 by Materials Project

Abstract

Cs2PrF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (3.00 Å) and six longer (3.16 Å) Cs–F bond lengths. Pr4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.39 Å) and six longer (2.50 Å) Pr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Cs1+ and two equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing FCs2Pr2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pr4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1207345
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; Cs2PrF6; Cs-F-Pr
OSTI Identifier:
1716941
DOI:
https://doi.org/10.17188/1716941

Citation Formats

The Materials Project. Materials Data on Cs2PrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716941.
The Materials Project. Materials Data on Cs2PrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1716941
The Materials Project. 2020. "Materials Data on Cs2PrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1716941. https://www.osti.gov/servlets/purl/1716941. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1716941,
title = {Materials Data on Cs2PrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PrF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (3.00 Å) and six longer (3.16 Å) Cs–F bond lengths. Pr4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.39 Å) and six longer (2.50 Å) Pr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Cs1+ and two equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing FCs2Pr2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pr4+ atom.},
doi = {10.17188/1716941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}