Materials Data on K3(PdO2)2 by Materials Project

doi:10.17188/1271542

Title: Materials Data on K3(PdO2)2 by Materials Project

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Abstract

K3Pd2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of K–O bond distances ranging from 2.83–2.92 Å. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.67 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.04 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.02 Å. O is bonded to four K and two Pd atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-560563

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; K3(PdO2)2; K-O-Pd

OSTI Identifier:: 1271542

DOI:: https://doi.org/10.17188/1271542

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                    The Materials Project. Materials Data on K3(PdO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271542.

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                    The Materials Project. Materials Data on K3(PdO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271542

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                    The Materials Project. 2020.  
"Materials Data on K3(PdO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271542.  https://www.osti.gov/servlets/purl/1271542. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1271542,

  title        = {Materials Data on K3(PdO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Pd2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of K–O bond distances ranging from 2.83–2.92 Å. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.67 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.04 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.02 Å. O is bonded to four K and two Pd atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°.},

  doi          = {10.17188/1271542},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271542

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