Materials Data on SnTePbSe by Materials Project

doi:10.17188/1742135

Title: Materials Data on SnTePbSe by Materials Project

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Abstract

PbSnSeTe is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PbTe3Se3 octahedra that share corners with six equivalent SnTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.12 Å. Sn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form SnTe3Se3 octahedra that share corners with six equivalent PbTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Sn–Te bond lengths are 3.19 Å. All Sn–Se bond lengths are 3.08 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form TeSn3Pb3 octahedra that share corners with six equivalent SeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form SeSn3Pb3 octahedra that share corners with sixmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1218892

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; SnTePbSe; Pb-Se-Sn-Te

OSTI Identifier:: 1742135

DOI:: https://doi.org/10.17188/1742135

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                    The Materials Project. Materials Data on SnTePbSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742135.

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                    The Materials Project. Materials Data on SnTePbSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1742135

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                    The Materials Project. 2020.  
"Materials Data on SnTePbSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1742135.  https://www.osti.gov/servlets/purl/1742135. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1742135,

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

  author       = {The Materials Project},

  abstractNote = {PbSnSeTe is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PbTe3Se3 octahedra that share corners with six equivalent SnTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.12 Å. Sn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form SnTe3Se3 octahedra that share corners with six equivalent PbTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Sn–Te bond lengths are 3.19 Å. All Sn–Se bond lengths are 3.08 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form TeSn3Pb3 octahedra that share corners with six equivalent SeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form SeSn3Pb3 octahedra that share corners with six equivalent TeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°.},

  doi          = {10.17188/1742135},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1742135

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