Materials Data on Cu2Pd3Se4 by Materials Project

doi:10.17188/1672392

Title: Materials Data on Cu2Pd3Se4 by Materials Project

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Abstract

Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are a spread of Pd–Se bond distances ranging from 2.48–2.53 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Pd–Se bond lengths. Cu1+ is bonded in a 2-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.45–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Pd2+ and one Cu1+ atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pd2+ and three equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1212900

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; Cu2Pd3Se4; Cu-Pd-Se

OSTI Identifier:: 1672392

DOI:: https://doi.org/10.17188/1672392

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                    The Materials Project. Materials Data on Cu2Pd3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672392.

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                    The Materials Project. Materials Data on Cu2Pd3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672392

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                    The Materials Project. 2020.  
"Materials Data on Cu2Pd3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672392.  https://www.osti.gov/servlets/purl/1672392. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1672392,

  title        = {Materials Data on Cu2Pd3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are a spread of Pd–Se bond distances ranging from 2.48–2.53 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Pd–Se bond lengths. Cu1+ is bonded in a 2-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.45–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Pd2+ and one Cu1+ atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pd2+ and three equivalent Cu1+ atoms.},

  doi          = {10.17188/1672392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672392

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