Materials Data on In5AgTe8 by Materials Project

doi:10.17188/1275276

Title: Materials Data on In5AgTe8 by Materials Project

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Abstract

AgIn5Te8 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with eight equivalent InTe4 tetrahedra. All Ag–Te bond lengths are 2.83 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra and corners with six InTe4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.91 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four equivalent Te2- atoms to form corner-sharing InTe4 tetrahedra. All In–Te bond lengths are 2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-569813

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; In5AgTe8; Ag-In-Te

OSTI Identifier:: 1275276

DOI:: https://doi.org/10.17188/1275276

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                    The Materials Project. Materials Data on In5AgTe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275276.

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                    The Materials Project. Materials Data on In5AgTe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275276

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                    The Materials Project. 2020.  
"Materials Data on In5AgTe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275276.  https://www.osti.gov/servlets/purl/1275276. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275276,

  title        = {Materials Data on In5AgTe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgIn5Te8 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with eight equivalent InTe4 tetrahedra. All Ag–Te bond lengths are 2.83 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra and corners with six InTe4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.91 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four equivalent Te2- atoms to form corner-sharing InTe4 tetrahedra. All In–Te bond lengths are 2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms.},

  doi          = {10.17188/1275276},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275276

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