Materials Data on InCl by Materials Project

doi:10.17188/1199386

Title: Materials Data on InCl by Materials Project

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Abstract

InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-23276

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; InCl; Cl-In

OSTI Identifier:: 1199386

DOI:: https://doi.org/10.17188/1199386

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                    The Materials Project. Materials Data on InCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199386.

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                    The Materials Project. Materials Data on InCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1199386

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                    The Materials Project. 2020.  
"Materials Data on InCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1199386.  https://www.osti.gov/servlets/purl/1199386. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1199386,

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

  author       = {The Materials Project},

  abstractNote = {InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.},

  doi          = {10.17188/1199386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1199386

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