Materials Data on AgSbSeS by Materials Project

doi:10.17188/1759633

Title: Materials Data on AgSbSeS by Materials Project

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Abstract

AgSbSeS is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- and two equivalent S2- atoms to form AgSe4S2 octahedra that share corners with six equivalent AgSe4S2 octahedra, edges with four equivalent AgSe4S2 octahedra, and edges with eight equivalent SbSe2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Se bond lengths are 2.80 Å. Both Ag–S bond lengths are 2.89 Å. Sb3+ is bonded to two equivalent Se2- and four equivalent S2- atoms to form SbSe2S4 octahedra that share corners with six equivalent SbSe2S4 octahedra, edges with four equivalent SbSe2S4 octahedra, and edges with eight equivalent AgSe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–Se bond lengths are 2.89 Å. All Sb–S bond lengths are 2.80 Å. Se2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SeAg4Sb2 octahedra that share corners with six equivalent SeAg4Sb2 octahedra, edges with four equivalent SeAg4Sb2 octahedra, and edges with eight equivalent SAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. S2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form SAg2Sb4 octahedra that share corners with six equivalent SAg2Sb4more »« less

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1228993

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; AgSbSeS; Ag-S-Sb-Se

OSTI Identifier:: 1759633

DOI:: https://doi.org/10.17188/1759633

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                    The Materials Project. Materials Data on AgSbSeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759633.

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                    The Materials Project. Materials Data on AgSbSeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1759633

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                    The Materials Project. 2020.  
"Materials Data on AgSbSeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1759633.  https://www.osti.gov/servlets/purl/1759633. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759633,

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

  author       = {The Materials Project},

  abstractNote = {AgSbSeS is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- and two equivalent S2- atoms to form AgSe4S2 octahedra that share corners with six equivalent AgSe4S2 octahedra, edges with four equivalent AgSe4S2 octahedra, and edges with eight equivalent SbSe2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Se bond lengths are 2.80 Å. Both Ag–S bond lengths are 2.89 Å. Sb3+ is bonded to two equivalent Se2- and four equivalent S2- atoms to form SbSe2S4 octahedra that share corners with six equivalent SbSe2S4 octahedra, edges with four equivalent SbSe2S4 octahedra, and edges with eight equivalent AgSe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–Se bond lengths are 2.89 Å. All Sb–S bond lengths are 2.80 Å. Se2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SeAg4Sb2 octahedra that share corners with six equivalent SeAg4Sb2 octahedra, edges with four equivalent SeAg4Sb2 octahedra, and edges with eight equivalent SAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. S2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form SAg2Sb4 octahedra that share corners with six equivalent SAg2Sb4 octahedra, edges with four equivalent SAg2Sb4 octahedra, and edges with eight equivalent SeAg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1759633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759633

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