Materials Data on CdInAgTe3 by Materials Project

doi:10.17188/1748827

Title: Materials Data on CdInAgTe3 by Materials Project

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Abstract

AgCdInTe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra, corners with five equivalent CdTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.81–2.84 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.85–2.90 Å. In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.81–2.90 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ag1+, one Cd2+, and one In3+ atom to form corner-sharing TeCdInAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Ag1+, two equivalent Cd2+, and one In3+ atom to form corner-sharing TeCd2InAg tetrahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226727

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; CdInAgTe3; Ag-Cd-In-Te

OSTI Identifier:: 1748827

DOI:: https://doi.org/10.17188/1748827

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                    The Materials Project. Materials Data on CdInAgTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748827.

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                    The Materials Project. Materials Data on CdInAgTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748827

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                    The Materials Project. 2020.  
"Materials Data on CdInAgTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748827.  https://www.osti.gov/servlets/purl/1748827. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748827,

  title        = {Materials Data on CdInAgTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgCdInTe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra, corners with five equivalent CdTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.81–2.84 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.85–2.90 Å. In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.81–2.90 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ag1+, one Cd2+, and one In3+ atom to form corner-sharing TeCdInAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Ag1+, two equivalent Cd2+, and one In3+ atom to form corner-sharing TeCd2InAg tetrahedra. In the third Te2- site, Te2- is bonded to one Ag1+, one Cd2+, and two equivalent In3+ atoms to form corner-sharing TeCdIn2Ag tetrahedra.},

  doi          = {10.17188/1748827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748827

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