Materials Data on InTe5Pb4 by Materials Project

doi:10.17188/1663744

Title: Materials Data on InTe5Pb4 by Materials Project

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Abstract

InPb4Te5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. In2+ is bonded to six equivalent Te2- atoms to form InTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with six equivalent InTe6 octahedra, and edges with six equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In–Te bond lengths are 3.25 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with three equivalent InTe6 octahedra, corners with three equivalent PbTe6 octahedra, edges with three equivalent InTe6 octahedra, and edges with nine PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are three shorter (3.21 Å) and three longer (3.31 Å) Pb–Te bond lengths. In the second Pb2+ site, Pb2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (3.24 Å) and three longer (3.26 Å) Pb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent In2+ and three equivalent Pb2+ atomsmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1223713

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; InTe5Pb4; In-Pb-Te

OSTI Identifier:: 1663744

DOI:: https://doi.org/10.17188/1663744

Citation Formats


                    The Materials Project. Materials Data on InTe5Pb4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663744.

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                    The Materials Project. Materials Data on InTe5Pb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663744

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                    The Materials Project. 2020.  
"Materials Data on InTe5Pb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663744.  https://www.osti.gov/servlets/purl/1663744. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1663744,

  title        = {Materials Data on InTe5Pb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {InPb4Te5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. In2+ is bonded to six equivalent Te2- atoms to form InTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with six equivalent InTe6 octahedra, and edges with six equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In–Te bond lengths are 3.25 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with three equivalent InTe6 octahedra, corners with three equivalent PbTe6 octahedra, edges with three equivalent InTe6 octahedra, and edges with nine PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are three shorter (3.21 Å) and three longer (3.31 Å) Pb–Te bond lengths. In the second Pb2+ site, Pb2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (3.24 Å) and three longer (3.26 Å) Pb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent In2+ and three equivalent Pb2+ atoms to form a mixture of edge and corner-sharing TeIn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second Te2- site, Te2- is bonded to six equivalent Pb2+ atoms to form a mixture of edge and corner-sharing TePb6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te2- site, Te2- is bonded to six Pb2+ atoms to form a mixture of edge and corner-sharing TePb6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.},

  doi          = {10.17188/1663744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663744

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