Materials Data on K2Pd3Se4 by Materials Project

doi:10.17188/1190620

Title: Materials Data on K2Pd3Se4 by Materials Project

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Abstract

K2Pd3Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of K–Se bond distances ranging from 3.61–3.76 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. There are two shorter (2.48 Å) and two longer (2.50 Å) Pd–Se bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pd–Se bond lengths are 2.49 Å. Se2- is bonded in a 7-coordinate geometry to four equivalent K1+ and three Pd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-14339

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; K2Pd3Se4; K-Pd-Se

OSTI Identifier:: 1190620

DOI:: https://doi.org/10.17188/1190620

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                    The Materials Project. Materials Data on K2Pd3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190620.

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                    The Materials Project. Materials Data on K2Pd3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190620

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                    The Materials Project. 2020.  
"Materials Data on K2Pd3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190620.  https://www.osti.gov/servlets/purl/1190620. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1190620,

  title        = {Materials Data on K2Pd3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Pd3Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of K–Se bond distances ranging from 3.61–3.76 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. There are two shorter (2.48 Å) and two longer (2.50 Å) Pd–Se bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pd–Se bond lengths are 2.49 Å. Se2- is bonded in a 7-coordinate geometry to four equivalent K1+ and three Pd2+ atoms.},

  doi          = {10.17188/1190620},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190620

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