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Title: Materials Data on KPd2F5 by Materials Project

Abstract

KPd2F5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.78–2.98 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six F1- atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Pd–F bond distances ranging from 2.19–2.22 Å. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Pd–F bond lengths are 2.01 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Pd2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Pd2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28758
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; KPd2F5; F-K-Pd
OSTI Identifier:
1202817
DOI:
https://doi.org/10.17188/1202817

Citation Formats

The Materials Project. Materials Data on KPd2F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202817.
The Materials Project. Materials Data on KPd2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1202817
The Materials Project. 2020. "Materials Data on KPd2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1202817. https://www.osti.gov/servlets/purl/1202817. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202817,
title = {Materials Data on KPd2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {KPd2F5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.78–2.98 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six F1- atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Pd–F bond distances ranging from 2.19–2.22 Å. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Pd–F bond lengths are 2.01 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Pd2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Pd2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pd2+ atoms.},
doi = {10.17188/1202817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}