Materials Data on Re(TeCl2)2 by Materials Project

doi:10.17188/1733088

Title: Materials Data on Re(TeCl2)2 by Materials Project

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Abstract

Re(TeCl2)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to four Te+1.50- and two Cl1- atoms. There are a spread of Re–Te bond distances ranging from 2.63–2.76 Å. There are one shorter (2.51 Å) and one longer (2.52 Å) Re–Cl bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 10-coordinate geometry to three equivalent Re7+ and seven Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 3.38–3.82 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to one Re7+ and five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.39–4.07 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Te+1.50- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Te+1.50- atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and three Te+1.50- atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and four Te+1.50- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1193652

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; Re(TeCl2)2; Cl-Re-Te

OSTI Identifier:: 1733088

DOI:: https://doi.org/10.17188/1733088

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                    The Materials Project. Materials Data on Re(TeCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733088.

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                    The Materials Project. Materials Data on Re(TeCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733088

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                    The Materials Project. 2020.  
"Materials Data on Re(TeCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733088.  https://www.osti.gov/servlets/purl/1733088. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1733088,

  title        = {Materials Data on Re(TeCl2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re(TeCl2)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to four Te+1.50- and two Cl1- atoms. There are a spread of Re–Te bond distances ranging from 2.63–2.76 Å. There are one shorter (2.51 Å) and one longer (2.52 Å) Re–Cl bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 10-coordinate geometry to three equivalent Re7+ and seven Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 3.38–3.82 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to one Re7+ and five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.39–4.07 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Te+1.50- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Te+1.50- atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and three Te+1.50- atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and four Te+1.50- atoms.},

  doi          = {10.17188/1733088},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733088

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