Materials Data on CdTe2Pb by Materials Project

doi:10.17188/1685279

Title: Materials Data on CdTe2Pb by Materials Project

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Abstract

CdPbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cd2+ is bonded to six Te2- atoms to form CdTe6 octahedra that share corners with six equivalent CdTe6 octahedra, edges with four equivalent CdTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Te bond lengths are 3.18 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with four equivalent PbTe6 octahedra, and edges with eight equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.18 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cd2+ and four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ and two equivalent Pb2+ atoms to form TeCd4Pb2 octahedra that share corners with six equivalent TeCd4Pb2 octahedra and edges with twelve TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1226705

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; CdTe2Pb; Cd-Pb-Te

OSTI Identifier:: 1685279

DOI:: https://doi.org/10.17188/1685279

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                    The Materials Project. Materials Data on CdTe2Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685279.

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                    The Materials Project. Materials Data on CdTe2Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1685279

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                    The Materials Project. 2020.  
"Materials Data on CdTe2Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1685279.  https://www.osti.gov/servlets/purl/1685279. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685279,

  title        = {Materials Data on CdTe2Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdPbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cd2+ is bonded to six Te2- atoms to form CdTe6 octahedra that share corners with six equivalent CdTe6 octahedra, edges with four equivalent CdTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Te bond lengths are 3.18 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with four equivalent PbTe6 octahedra, and edges with eight equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.18 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cd2+ and four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ and two equivalent Pb2+ atoms to form TeCd4Pb2 octahedra that share corners with six equivalent TeCd4Pb2 octahedra and edges with twelve TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1685279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685279

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