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Title: Materials Data on K2PdO4 by Materials Project

Abstract

K2PdO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.76–2.98 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.23 Å. Pd is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Pd–O bond distances ranging from 1.88–1.92 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four K and one Pd atom. In the second O site, O is bonded to four K and one Pd atom to form distorted corner-sharing OK4Pd trigonal bipyramids. In the third O site, O is bonded in a 1-coordinate geometry to four K and one Pd atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three K and one Pd atom.

Authors:
Publication Date:
Other Number(s):
mp-1211762
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; K2PdO4; K-O-Pd
OSTI Identifier:
1734188
DOI:
https://doi.org/10.17188/1734188

Citation Formats

The Materials Project. Materials Data on K2PdO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734188.
The Materials Project. Materials Data on K2PdO4 by Materials Project. United States. doi:https://doi.org/10.17188/1734188
The Materials Project. 2020. "Materials Data on K2PdO4 by Materials Project". United States. doi:https://doi.org/10.17188/1734188. https://www.osti.gov/servlets/purl/1734188. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1734188,
title = {Materials Data on K2PdO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PdO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.76–2.98 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.23 Å. Pd is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Pd–O bond distances ranging from 1.88–1.92 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four K and one Pd atom. In the second O site, O is bonded to four K and one Pd atom to form distorted corner-sharing OK4Pd trigonal bipyramids. In the third O site, O is bonded in a 1-coordinate geometry to four K and one Pd atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three K and one Pd atom.},
doi = {10.17188/1734188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}