Materials Data on Rb2ZrTe3 by Materials Project

doi:10.17188/1204051

Title: Materials Data on Rb2ZrTe3 by Materials Project

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Abstract

Rb2ZrTe3 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.64–4.08 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.56–3.96 Å. Zr4+ is bonded to six Te2- atoms to form face-sharing ZrTe6 octahedra. There are a spread of Zr–Te bond distances ranging from 2.86–3.05 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-29603

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; Rb2ZrTe3; Rb-Te-Zr

OSTI Identifier:: 1204051

DOI:: https://doi.org/10.17188/1204051

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                    The Materials Project. Materials Data on Rb2ZrTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204051.

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                    The Materials Project. Materials Data on Rb2ZrTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204051

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                    The Materials Project. 2020.  
"Materials Data on Rb2ZrTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204051.  https://www.osti.gov/servlets/purl/1204051. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1204051,

  title        = {Materials Data on Rb2ZrTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2ZrTe3 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.64–4.08 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.56–3.96 Å. Zr4+ is bonded to six Te2- atoms to form face-sharing ZrTe6 octahedra. There are a spread of Zr–Te bond distances ranging from 2.86–3.05 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms.},

  doi          = {10.17188/1204051},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204051

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