Materials Data on AgSbS2 by Materials Project

doi:10.17188/1206776

Title: Materials Data on AgSbS2 by Materials Project

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Abstract

AgSbS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with two equivalent SbS6 octahedra, corners with four equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Ag–S bond distances ranging from 2.74–2.96 Å. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with four equivalent SbS6 octahedra, edges with four equivalent SbS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Sb–S bond distances ranging from 2.74–2.78 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ag1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second S2- site, S2- is bonded to three equivalent Ag1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg3Sb3 octahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-34371

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; AgSbS2; Ag-S-Sb

OSTI Identifier:: 1206776

DOI:: https://doi.org/10.17188/1206776

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                    The Materials Project. Materials Data on AgSbS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206776.

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                    The Materials Project. Materials Data on AgSbS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206776

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                    The Materials Project. 2020.  
"Materials Data on AgSbS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206776.  https://www.osti.gov/servlets/purl/1206776. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1206776,

  title        = {Materials Data on AgSbS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgSbS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with two equivalent SbS6 octahedra, corners with four equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Ag–S bond distances ranging from 2.74–2.96 Å. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with four equivalent SbS6 octahedra, edges with four equivalent SbS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Sb–S bond distances ranging from 2.74–2.78 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ag1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second S2- site, S2- is bonded to three equivalent Ag1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°.},

  doi          = {10.17188/1206776},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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