Materials Data on In4Te3 by Materials Project

doi:10.17188/1277920

Title: Materials Data on In4Te3 by Materials Project

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Abstract

In4Te3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.87 Å) and two longer (2.96 Å) In–Te bond lengths. In the second In+1.50+ site, In+1.50+ is bonded in a distorted square co-planar geometry to four Te2- atoms. There are two shorter (3.05 Å) and two longer (3.61 Å) In–Te bond lengths. In the third In+1.50+ site, In+1.50+ is bonded to five Te2- atoms to form edge-sharing InTe5 square pyramids. There are a spread of In–Te bond distances ranging from 3.23–3.55 Å. In the fourth In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are two shorter (2.89 Å) and one longer (2.95 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the third Te2- site, Te2- is bonded to five In+1.50+ atoms to form distorted edge-sharing TeIn5 square pyramids.

Authors:: The Materials Project

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

Other Number(s):: mp-617281

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; In4Te3; In-Te

OSTI Identifier:: 1277920

DOI:: https://doi.org/10.17188/1277920

Citation Formats


                    The Materials Project. Materials Data on In4Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277920.

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                    The Materials Project. Materials Data on In4Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277920

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                    The Materials Project. 2020.  
"Materials Data on In4Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277920.  https://www.osti.gov/servlets/purl/1277920. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1277920,

  title        = {Materials Data on In4Te3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In4Te3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.87 Å) and two longer (2.96 Å) In–Te bond lengths. In the second In+1.50+ site, In+1.50+ is bonded in a distorted square co-planar geometry to four Te2- atoms. There are two shorter (3.05 Å) and two longer (3.61 Å) In–Te bond lengths. In the third In+1.50+ site, In+1.50+ is bonded to five Te2- atoms to form edge-sharing InTe5 square pyramids. There are a spread of In–Te bond distances ranging from 3.23–3.55 Å. In the fourth In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are two shorter (2.89 Å) and one longer (2.95 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the third Te2- site, Te2- is bonded to five In+1.50+ atoms to form distorted edge-sharing TeIn5 square pyramids.},

  doi          = {10.17188/1277920},

  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/10.17188/1277920

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