Materials Data on CdCu2GeSe4 by Materials Project

doi:10.17188/1729921

Title: Materials Data on CdCu2GeSe4 by Materials Project

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Abstract

Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1226932

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; CdCu2GeSe4; Cd-Cu-Ge-Se

OSTI Identifier:: 1729921

DOI:: https://doi.org/10.17188/1729921

Citation Formats


                    The Materials Project. Materials Data on CdCu2GeSe4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729921.

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                    The Materials Project. Materials Data on CdCu2GeSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729921

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                    The Materials Project. 2019.  
"Materials Data on CdCu2GeSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729921.  https://www.osti.gov/servlets/purl/1729921. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1729921,

  title        = {Materials Data on CdCu2GeSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra.},

  doi          = {10.17188/1729921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1729921

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