Materials Data on TcC5IO5 by Materials Project

doi:10.17188/1752602

Title: Materials Data on TcC5IO5 by Materials Project

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Abstract

TcC5O5I is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc1- is bonded in a distorted square pyramidal geometry to five C+2.40+ and one I1- atom. There is one shorter (1.94 Å) and four longer (2.01 Å) Tc–C bond length. The Tc–I bond length is 2.86 Å. There are two inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. I1- is bonded in a single-bond geometry to one Tc1- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190985

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; TcC5IO5; C-I-O-Tc

OSTI Identifier:: 1752602

DOI:: https://doi.org/10.17188/1752602

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                    The Materials Project. Materials Data on TcC5IO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752602.

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                    The Materials Project. Materials Data on TcC5IO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752602

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                    The Materials Project. 2020.  
"Materials Data on TcC5IO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752602.  https://www.osti.gov/servlets/purl/1752602. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752602,

  title        = {Materials Data on TcC5IO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TcC5O5I is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc1- is bonded in a distorted square pyramidal geometry to five C+2.40+ and one I1- atom. There is one shorter (1.94 Å) and four longer (2.01 Å) Tc–C bond length. The Tc–I bond length is 2.86 Å. There are two inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. I1- is bonded in a single-bond geometry to one Tc1- atom.},

  doi          = {10.17188/1752602},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752602

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