Materials Data on K2PdO4 by Materials Project

doi:10.17188/1734188

Title: Materials Data on K2PdO4 by Materials Project

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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:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on K2PdO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734188.

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                    The Materials Project. Materials Data on K2PdO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734188

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                    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

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@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         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734188

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