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Title: Materials Data on K2NaPdF6 by Materials Project

Abstract

K2NaPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent F atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent PdF6 octahedra. All K–F bond lengths are 3.04 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent PdF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.25 Å. Pd is bonded to six equivalent F atoms to form PdF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–F bond lengths are 2.05 Å. F is bonded in a distorted linear geometry to four equivalent K, one Na, and one Pd atom.

Authors:
Publication Date:
Other Number(s):
mp-1111627
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; K2NaPdF6; F-K-Na-Pd
OSTI Identifier:
1721988
DOI:
https://doi.org/10.17188/1721988

Citation Formats

The Materials Project. Materials Data on K2NaPdF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1721988.
The Materials Project. Materials Data on K2NaPdF6 by Materials Project. United States. doi:https://doi.org/10.17188/1721988
The Materials Project. 2020. "Materials Data on K2NaPdF6 by Materials Project". United States. doi:https://doi.org/10.17188/1721988. https://www.osti.gov/servlets/purl/1721988. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1721988,
title = {Materials Data on K2NaPdF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NaPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent F atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent PdF6 octahedra. All K–F bond lengths are 3.04 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent PdF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.25 Å. Pd is bonded to six equivalent F atoms to form PdF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–F bond lengths are 2.05 Å. F is bonded in a distorted linear geometry to four equivalent K, one Na, and one Pd atom.},
doi = {10.17188/1721988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}