Materials Data on AgAsSe by Materials Project

doi:10.17188/1316676

Title: Materials Data on AgAsSe by Materials Project

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Abstract

AsSeAg crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag3+ is bonded to one As1- and three equivalent Se2- atoms to form AgAsSe3 tetrahedra that share a cornercorner with one SeAg3As tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent AgAsSe3 tetrahedra. The Ag–As bond length is 2.61 Å. All Ag–Se bond lengths are 2.67 Å. As1- is bonded to one Ag3+, two equivalent As1-, and one Se2- atom to form distorted AsAgAs2Se tetrahedra that share corners with two equivalent AsAgAs2Se tetrahedra, corners with five equivalent AgAsSe3 tetrahedra, and corners with five equivalent SeAg3As tetrahedra. Both As–As bond lengths are 2.60 Å. The As–Se bond length is 2.40 Å. Se2- is bonded to three equivalent Ag3+ and one As1- atom to form SeAg3As tetrahedra that share a cornercorner with one AgAsSe3 tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent SeAg3As tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-985442

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; AgAsSe; Ag-As-Se

OSTI Identifier:: 1316676

DOI:: https://doi.org/10.17188/1316676

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                    The Materials Project. Materials Data on AgAsSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316676.

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                    The Materials Project. Materials Data on AgAsSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1316676

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                    The Materials Project. 2020.  
"Materials Data on AgAsSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1316676.  https://www.osti.gov/servlets/purl/1316676. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1316676,

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

  author       = {The Materials Project},

  abstractNote = {AsSeAg crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag3+ is bonded to one As1- and three equivalent Se2- atoms to form AgAsSe3 tetrahedra that share a cornercorner with one SeAg3As tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent AgAsSe3 tetrahedra. The Ag–As bond length is 2.61 Å. All Ag–Se bond lengths are 2.67 Å. As1- is bonded to one Ag3+, two equivalent As1-, and one Se2- atom to form distorted AsAgAs2Se tetrahedra that share corners with two equivalent AsAgAs2Se tetrahedra, corners with five equivalent AgAsSe3 tetrahedra, and corners with five equivalent SeAg3As tetrahedra. Both As–As bond lengths are 2.60 Å. The As–Se bond length is 2.40 Å. Se2- is bonded to three equivalent Ag3+ and one As1- atom to form SeAg3As tetrahedra that share a cornercorner with one AgAsSe3 tetrahedra, corners with five equivalent AsAgAs2Se tetrahedra, and corners with six equivalent SeAg3As tetrahedra.},

  doi          = {10.17188/1316676},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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