Materials Data on ReTeSeCl4 by Materials Project

doi:10.17188/1311668

Title: Materials Data on ReTeSeCl4 by Materials Project

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Abstract

ReTeSeCl4 crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two ReTeSeCl4 clusters. Re7+ is bonded in a 5-coordinate geometry to one Te1-, three equivalent Se2-, and two Cl1- atoms. The Re–Te bond length is 2.79 Å. There are a spread of Re–Se bond distances ranging from 2.45–2.47 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Re–Cl bond lengths. Te1- is bonded in a 2-coordinate geometry to one Re7+ and four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.38–2.85 Å. Se2- is bonded in a 10-coordinate geometry to three equivalent Re7+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-866695

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; ReTeSeCl4; Cl-Re-Se-Te

OSTI Identifier:: 1311668

DOI:: https://doi.org/10.17188/1311668

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                    The Materials Project. Materials Data on ReTeSeCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311668.

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                    The Materials Project. Materials Data on ReTeSeCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311668

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                    The Materials Project. 2020.  
"Materials Data on ReTeSeCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311668.  https://www.osti.gov/servlets/purl/1311668. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1311668,

  title        = {Materials Data on ReTeSeCl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReTeSeCl4 crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two ReTeSeCl4 clusters. Re7+ is bonded in a 5-coordinate geometry to one Te1-, three equivalent Se2-, and two Cl1- atoms. The Re–Te bond length is 2.79 Å. There are a spread of Re–Se bond distances ranging from 2.45–2.47 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Re–Cl bond lengths. Te1- is bonded in a 2-coordinate geometry to one Re7+ and four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.38–2.85 Å. Se2- is bonded in a 10-coordinate geometry to three equivalent Re7+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom.},

  doi          = {10.17188/1311668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1311668

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