Materials Data on InTeCl by Materials Project

doi:10.17188/1261887

Title: Materials Data on InTeCl by Materials Project

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Abstract

InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-504630

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; InTeCl; Cl-In-Te

OSTI Identifier:: 1261887

DOI:: https://doi.org/10.17188/1261887

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                    The Materials Project. Materials Data on InTeCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261887.

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                    The Materials Project. Materials Data on InTeCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1261887

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                    The Materials Project. 2020.  
"Materials Data on InTeCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1261887.  https://www.osti.gov/servlets/purl/1261887. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1261887,

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

  author       = {The Materials Project},

  abstractNote = {InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.},

  doi          = {10.17188/1261887},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1261887

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