Materials Data on AgSbTeSe by Materials Project

doi:10.17188/1751277

Title: Materials Data on AgSbTeSe by Materials Project

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Abstract

AgSbTeSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- and two equivalent Se2- atoms to form AgTe4Se2 octahedra that share corners with six equivalent AgTe4Se2 octahedra, edges with four equivalent AgTe4Se2 octahedra, and edges with eight equivalent SbTe2Se4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Te bond lengths are 2.91 Å. Both Ag–Se bond lengths are 3.11 Å. Sb3+ is bonded to two equivalent Te2- and four equivalent Se2- atoms to form SbTe2Se4 octahedra that share corners with six equivalent SbTe2Se4 octahedra, edges with four equivalent SbTe2Se4 octahedra, and edges with eight equivalent AgTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–Te bond lengths are 3.11 Å. All Sb–Se bond lengths are 2.91 Å. Te2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form TeAg4Sb2 octahedra that share corners with six equivalent TeAg4Sb2 octahedra, edges with four equivalent TeAg4Sb2 octahedra, and edges with eight equivalent SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. Se2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form SeAg2Sb4 octahedra that share corners with six equivalent SeAg2Sb4 octahedra, edges with four equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1229007

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; AgSbTeSe; Ag-Sb-Se-Te

OSTI Identifier:: 1751277

DOI:: https://doi.org/10.17188/1751277

Citation Formats


                    The Materials Project. Materials Data on AgSbTeSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751277.

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                    The Materials Project. Materials Data on AgSbTeSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1751277

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                    The Materials Project. 2020.  
"Materials Data on AgSbTeSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1751277.  https://www.osti.gov/servlets/purl/1751277. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1751277,

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

  author       = {The Materials Project},

  abstractNote = {AgSbTeSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- and two equivalent Se2- atoms to form AgTe4Se2 octahedra that share corners with six equivalent AgTe4Se2 octahedra, edges with four equivalent AgTe4Se2 octahedra, and edges with eight equivalent SbTe2Se4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Te bond lengths are 2.91 Å. Both Ag–Se bond lengths are 3.11 Å. Sb3+ is bonded to two equivalent Te2- and four equivalent Se2- atoms to form SbTe2Se4 octahedra that share corners with six equivalent SbTe2Se4 octahedra, edges with four equivalent SbTe2Se4 octahedra, and edges with eight equivalent AgTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–Te bond lengths are 3.11 Å. All Sb–Se bond lengths are 2.91 Å. Te2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form TeAg4Sb2 octahedra that share corners with six equivalent TeAg4Sb2 octahedra, edges with four equivalent TeAg4Sb2 octahedra, and edges with eight equivalent SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. Se2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form SeAg2Sb4 octahedra that share corners with six equivalent SeAg2Sb4 octahedra, edges with four equivalent SeAg2Sb4 octahedra, and edges with eight equivalent TeAg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1751277},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751277

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