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Title: Materials Data on ThPbI6 by Materials Project

Abstract

ThPbI6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent PbI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Th–I bond lengths are 3.08 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–I bond lengths are 3.27 Å. I1- is bonded in a 2-coordinate geometry to one Th4+ and one Pb2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-505148
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; ThPbI6; I-Pb-Th
OSTI Identifier:
1262300
DOI:
https://doi.org/10.17188/1262300

Citation Formats

The Materials Project. Materials Data on ThPbI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262300.
The Materials Project. Materials Data on ThPbI6 by Materials Project. United States. doi:https://doi.org/10.17188/1262300
The Materials Project. 2020. "Materials Data on ThPbI6 by Materials Project". United States. doi:https://doi.org/10.17188/1262300. https://www.osti.gov/servlets/purl/1262300. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262300,
title = {Materials Data on ThPbI6 by Materials Project},
author = {The Materials Project},
abstractNote = {ThPbI6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent PbI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Th–I bond lengths are 3.08 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–I bond lengths are 3.27 Å. I1- is bonded in a 2-coordinate geometry to one Th4+ and one Pb2+ atom.},
doi = {10.17188/1262300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}