Materials Data on In5Cl9 by Materials Project

doi:10.17188/1202240

Title: Materials Data on In5Cl9 by Materials Project

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Abstract

(In)3In2Cl9 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen indium molecules and six In2Cl9 clusters. In each In2Cl9 cluster, In+1.80+ is bonded to six Cl1- atoms to form distorted face-sharing InCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.67 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent In+1.80+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In+1.80+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-28112

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; In5Cl9; Cl-In

OSTI Identifier:: 1202240

DOI:: https://doi.org/10.17188/1202240

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                    The Materials Project. Materials Data on In5Cl9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202240.

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                    The Materials Project. Materials Data on In5Cl9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202240

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                    The Materials Project. 2020.  
"Materials Data on In5Cl9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202240.  https://www.osti.gov/servlets/purl/1202240. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1202240,

  title        = {Materials Data on In5Cl9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(In)3In2Cl9 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen indium molecules and six In2Cl9 clusters. In each In2Cl9 cluster, In+1.80+ is bonded to six Cl1- atoms to form distorted face-sharing InCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.67 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent In+1.80+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In+1.80+ atom.},

  doi          = {10.17188/1202240},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202240

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