Materials Data on Al2CdSe4 by Materials Project

doi:10.17188/1205769

Title: Materials Data on Al2CdSe4 by Materials Project

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Abstract

CdAl2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-3159

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; Al2CdSe4; Al-Cd-Se

OSTI Identifier:: 1205769

DOI:: https://doi.org/10.17188/1205769

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                    The Materials Project. Materials Data on Al2CdSe4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1205769.

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                    The Materials Project. Materials Data on Al2CdSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205769

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                    The Materials Project. 2017.  
"Materials Data on Al2CdSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205769.  https://www.osti.gov/servlets/purl/1205769. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1205769,

  title        = {Materials Data on Al2CdSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdAl2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Al3+ atoms.},

  doi          = {10.17188/1205769},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205769

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