Title: Materials Data on PtPbF6 by Materials Project

Abstract

PtPbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent PbF12 cuboctahedra and faces with two equivalent PbF12 cuboctahedra. All Pt–F bond lengths are 1.97 Å. Pb2+ is bonded to twelve equivalent F1- atoms to form PbF12 cuboctahedra that share corners with six equivalent PtF6 octahedra, edges with six equivalent PbF12 cuboctahedra, and faces with two equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Pb–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to one Pt4+ and two equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-20458
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; F-Pb-Pt; PtPbF6
OSTI Identifier:
1195589
DOI:
https://doi.org/10.17188/1195589

Citation Formats

Materials Data on PtPbF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195589.
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Materials Data on PtPbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1195589
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2020. "Materials Data on PtPbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1195589. https://www.osti.gov/servlets/purl/1195589. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1195589,
title = {Materials Data on PtPbF6 by Materials Project},
abstractNote = {PtPbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent PbF12 cuboctahedra and faces with two equivalent PbF12 cuboctahedra. All Pt–F bond lengths are 1.97 Å. Pb2+ is bonded to twelve equivalent F1- atoms to form PbF12 cuboctahedra that share corners with six equivalent PtF6 octahedra, edges with six equivalent PbF12 cuboctahedra, and faces with two equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Pb–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to one Pt4+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1195589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1195589
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