Materials Data on Cs2PdI6 by Materials Project

doi:10.17188/1204260

Title: Materials Data on Cs2PdI6 by Materials Project

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Abstract

Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.06 Å. Pd4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.66 Å) and two longer (3.23 Å) Pd–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd4+ atom. In the second I1- site, I1- is bonded in a distorted linear geometry to one Pd4+ and one I1- atom. The I–I bond length is 2.88 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29806

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; Cs2PdI6; Cs-I-Pd

OSTI Identifier:: 1204260

DOI:: https://doi.org/10.17188/1204260

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                    The Materials Project. Materials Data on Cs2PdI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204260.

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                    The Materials Project. Materials Data on Cs2PdI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204260

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                    The Materials Project. 2020.  
"Materials Data on Cs2PdI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204260.  https://www.osti.gov/servlets/purl/1204260. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204260,

  title        = {Materials Data on Cs2PdI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.06 Å. Pd4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.66 Å) and two longer (3.23 Å) Pd–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd4+ atom. In the second I1- site, I1- is bonded in a distorted linear geometry to one Pd4+ and one I1- atom. The I–I bond length is 2.88 Å.},

  doi          = {10.17188/1204260},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204260

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