Materials Data on Cs2PdSe8 by Materials Project

doi:10.17188/1205559

Title: Materials Data on Cs2PdSe8 by Materials Project

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Abstract

Cs2PdSe8 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se+0.50- atoms. There are a spread of Cs–Se bond distances ranging from 3.72–4.02 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+0.50- atoms. All Pd–Se bond lengths are 2.47 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd2+, and one Se+0.50- atom. The Se–Se bond length is 2.37 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to one Cs1+ and two Se+0.50- atoms. The Se–Se bond length is 2.42 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-31285

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; Cs2PdSe8; Cs-Pd-Se

OSTI Identifier:: 1205559

DOI:: https://doi.org/10.17188/1205559

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                    The Materials Project. Materials Data on Cs2PdSe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205559.

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                    The Materials Project. Materials Data on Cs2PdSe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205559

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                    The Materials Project. 2020.  
"Materials Data on Cs2PdSe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205559.  https://www.osti.gov/servlets/purl/1205559. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1205559,

  title        = {Materials Data on Cs2PdSe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2PdSe8 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se+0.50- atoms. There are a spread of Cs–Se bond distances ranging from 3.72–4.02 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+0.50- atoms. All Pd–Se bond lengths are 2.47 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd2+, and one Se+0.50- atom. The Se–Se bond length is 2.37 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to one Cs1+ and two Se+0.50- atoms. The Se–Se bond length is 2.42 Å.},

  doi          = {10.17188/1205559},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205559

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