Materials Data on InGaAg2(TeSe)2 by Materials Project

doi:10.17188/1708496

Title: Materials Data on InGaAg2(TeSe)2 by Materials Project

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Abstract

Ag2InGa(TeSe)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra, corners with four equivalent InTe2Se2 tetrahedra, and corners with four equivalent GaTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.76 Å. Both Ag–Se bond lengths are 2.76 Å. In the second Ag1+ site, Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra, corners with four equivalent InTe2Se2 tetrahedra, and corners with four equivalent GaTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.76 Å. Both Ag–Se bond lengths are 2.73 Å. In3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form InTe2Se2 tetrahedra that share corners with four equivalent GaTe2Se2 tetrahedra and corners with eight AgTe2Se2 tetrahedra. Both In–Te bond lengths are 2.83 Å. Both In–Se bond lengths are 2.66 Å. Ga3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form GaTe2Se2 tetrahedra that share corners with fourmore »« less

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1223912

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; InGaAg2(TeSe)2; Ag-Ga-In-Se-Te

OSTI Identifier:: 1708496

DOI:: https://doi.org/10.17188/1708496

Citation Formats


                    The Materials Project. Materials Data on InGaAg2(TeSe)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1708496.

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                    The Materials Project. Materials Data on InGaAg2(TeSe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708496

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                    The Materials Project. 2019.  
"Materials Data on InGaAg2(TeSe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708496.  https://www.osti.gov/servlets/purl/1708496. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1708496,

  title        = {Materials Data on InGaAg2(TeSe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2InGa(TeSe)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra, corners with four equivalent InTe2Se2 tetrahedra, and corners with four equivalent GaTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.76 Å. Both Ag–Se bond lengths are 2.76 Å. In the second Ag1+ site, Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra, corners with four equivalent InTe2Se2 tetrahedra, and corners with four equivalent GaTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.76 Å. Both Ag–Se bond lengths are 2.73 Å. In3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form InTe2Se2 tetrahedra that share corners with four equivalent GaTe2Se2 tetrahedra and corners with eight AgTe2Se2 tetrahedra. Both In–Te bond lengths are 2.83 Å. Both In–Se bond lengths are 2.66 Å. Ga3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent InTe2Se2 tetrahedra and corners with eight AgTe2Se2 tetrahedra. Both Ga–Te bond lengths are 2.66 Å. Both Ga–Se bond lengths are 2.49 Å. Te2- is bonded to two Ag1+, one In3+, and one Ga3+ atom to form TeInGaAg2 tetrahedra that share corners with four equivalent TeInGaAg2 tetrahedra and corners with eight equivalent SeInGaAg2 tetrahedra. Se2- is bonded to two Ag1+, one In3+, and one Ga3+ atom to form SeInGaAg2 tetrahedra that share corners with four equivalent SeInGaAg2 tetrahedra and corners with eight equivalent TeInGaAg2 tetrahedra.},

  doi          = {10.17188/1708496},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1708496

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