Materials Data on Rb2PdI6 by Materials Project

doi:10.17188/1204372

Title: Materials Data on Rb2PdI6 by Materials Project

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Abstract

Rb2PdI6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.68–4.41 Å. Pd4+ is bonded in a distorted square pyramidal geometry to five I1- atoms. There are a spread of Pd–I bond distances ranging from 2.65–3.13 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Pd4+, and one I1- atom. The I–I bond length is 2.89 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two I1- atoms. The I–I bond length is 3.25 Å. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Pd4+, and one I1- atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-29936

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; Rb2PdI6; I-Pd-Rb

OSTI Identifier:: 1204372

DOI:: https://doi.org/10.17188/1204372

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                    The Materials Project. Materials Data on Rb2PdI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204372.

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                    The Materials Project. Materials Data on Rb2PdI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204372

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                    The Materials Project. 2020.  
"Materials Data on Rb2PdI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204372.  https://www.osti.gov/servlets/purl/1204372. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1204372,

  title        = {Materials Data on Rb2PdI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2PdI6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.68–4.41 Å. Pd4+ is bonded in a distorted square pyramidal geometry to five I1- atoms. There are a spread of Pd–I bond distances ranging from 2.65–3.13 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Pd4+, and one I1- atom. The I–I bond length is 2.89 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two I1- atoms. The I–I bond length is 3.25 Å. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Pd4+, and one I1- atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom.},

  doi          = {10.17188/1204372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1204372

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