Materials Data on CdAg2SnSe4 by Materials Project

doi:10.17188/1663461

Title: Materials Data on CdAg2SnSe4 by Materials Project

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Abstract

Ag2CdSnSe4 is Stannite-like structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four AgSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.60–2.73 Å. In the second Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four AgSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.63–2.79 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with two equivalent CdSe4 tetrahedra, corners with two equivalent SnSe4 tetrahedra, and corners with eight AgSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.62–2.76 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with two equivalent CdSe4 tetrahedra, corners with two equivalent SnSe4 tetrahedra, and corners with eight AgSe4 tetrahedra. There are a spread of Sn–Se bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1226777

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; CdAg2SnSe4; Ag-Cd-Se-Sn

OSTI Identifier:: 1663461

DOI:: https://doi.org/10.17188/1663461

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                    The Materials Project. Materials Data on CdAg2SnSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663461.

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                    The Materials Project. Materials Data on CdAg2SnSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663461

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                    The Materials Project. 2020.  
"Materials Data on CdAg2SnSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663461.  https://www.osti.gov/servlets/purl/1663461. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1663461,

  title        = {Materials Data on CdAg2SnSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2CdSnSe4 is Stannite-like structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four AgSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.60–2.73 Å. In the second Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four AgSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.63–2.79 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with two equivalent CdSe4 tetrahedra, corners with two equivalent SnSe4 tetrahedra, and corners with eight AgSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.62–2.76 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with two equivalent CdSe4 tetrahedra, corners with two equivalent SnSe4 tetrahedra, and corners with eight AgSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.57–2.73 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Ag1+ and two equivalent Sn4+ atoms to form corner-sharing SeAg2Sn2 tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+, one Cd2+, and one Sn4+ atom to form corner-sharing SeCdAg2Sn tetrahedra. In the third Se2- site, Se2- is bonded to two Ag1+ and two equivalent Cd2+ atoms to form corner-sharing SeCd2Ag2 tetrahedra. In the fourth Se2- site, Se2- is bonded to two equivalent Ag1+, one Cd2+, and one Sn4+ atom to form corner-sharing SeCdAg2Sn tetrahedra.},

  doi          = {10.17188/1663461},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663461

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