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Title: Materials Data on CaPdF6 by Materials Project

Abstract

CaPdF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ca–F bond lengths are 2.30 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pd–F bond lengths are 1.95 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Pd4+ atom.

Publication Date:
Other Number(s):
mp-7922
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaPdF6; Ca-F-Pd
OSTI Identifier:
1307825
DOI:
https://doi.org/10.17188/1307825

Citation Formats

The Materials Project. Materials Data on CaPdF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307825.
The Materials Project. Materials Data on CaPdF6 by Materials Project. United States. doi:https://doi.org/10.17188/1307825
The Materials Project. 2020. "Materials Data on CaPdF6 by Materials Project". United States. doi:https://doi.org/10.17188/1307825. https://www.osti.gov/servlets/purl/1307825. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307825,
title = {Materials Data on CaPdF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaPdF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ca–F bond lengths are 2.30 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pd–F bond lengths are 1.95 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Pd4+ atom.},
doi = {10.17188/1307825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}