Materials Data on Rb2ZnI3 by Materials Project

doi:10.17188/1207481

Title: Materials Data on Rb2ZnI3 by Materials Project

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Abstract

Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to one Zn and six I atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. The Rb–Zn bond length is 3.84 Å. There are a spread of Rb–I bond distances ranging from 3.68–3.97 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Rb–I bond distances ranging from 3.64–3.75 Å. Zn is bonded in a 3-coordinate geometry to one Rb and three I atoms. There are two shorter (2.79 Å) and one longer (2.81 Å) Zn–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to three Rb and one Zn atom. In the second I site, I is bonded in a 5-coordinate geometry to four Rb and one Zn atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-38177

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; Rb2ZnI3; I-Rb-Zn

OSTI Identifier:: 1207481

DOI:: https://doi.org/10.17188/1207481

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                    The Materials Project. Materials Data on Rb2ZnI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207481.

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                    The Materials Project. Materials Data on Rb2ZnI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207481

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                    The Materials Project. 2020.  
"Materials Data on Rb2ZnI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207481.  https://www.osti.gov/servlets/purl/1207481. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1207481,

  title        = {Materials Data on Rb2ZnI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to one Zn and six I atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. The Rb–Zn bond length is 3.84 Å. There are a spread of Rb–I bond distances ranging from 3.68–3.97 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Rb–I bond distances ranging from 3.64–3.75 Å. Zn is bonded in a 3-coordinate geometry to one Rb and three I atoms. There are two shorter (2.79 Å) and one longer (2.81 Å) Zn–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to three Rb and one Zn atom. In the second I site, I is bonded in a 5-coordinate geometry to four Rb and one Zn atom.},

  doi          = {10.17188/1207481},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1207481

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