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Title: Materials Data on CdPdF4 by Materials Project

Abstract

PdCdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are two shorter (2.21 Å) and four longer (2.24 Å) Pd–F bond lengths. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent CdF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are four shorter (2.27 Å) and two longer (2.31 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Cd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226775
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; CdPdF4; Cd-F-Pd
OSTI Identifier:
1689681
DOI:
https://doi.org/10.17188/1689681

Citation Formats

The Materials Project. Materials Data on CdPdF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689681.
The Materials Project. Materials Data on CdPdF4 by Materials Project. United States. doi:https://doi.org/10.17188/1689681
The Materials Project. 2020. "Materials Data on CdPdF4 by Materials Project". United States. doi:https://doi.org/10.17188/1689681. https://www.osti.gov/servlets/purl/1689681. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689681,
title = {Materials Data on CdPdF4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdCdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are two shorter (2.21 Å) and four longer (2.24 Å) Pd–F bond lengths. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent CdF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are four shorter (2.27 Å) and two longer (2.31 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1689681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}