U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AgSbS2 by Materials Project
Abstract
AgSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.70 Å) and four longer (2.81 Å) Ag–S bond lengths. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with six equivalent SbS6 octahedra, edges with four equivalent SbS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.70 Å) and four longer (2.81 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SAg4Sb2 octahedra that share corners with six equivalent SAg4Sb2 octahedra and edges with twelve SAg2Sb4 octahedra. The corner-sharing octahedralmore »
- Publication Date:
- Other Number(s):
- mp-1229010
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-S-Sb; AgSbS2; crystal structure
- OSTI Identifier:
- 1677985
- DOI:
- https://doi.org/10.17188/1677985
Citation Formats
Materials Data on AgSbS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677985.
Materials Data on AgSbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1677985
2020.
"Materials Data on AgSbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1677985. https://www.osti.gov/servlets/purl/1677985. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1677985,
title = {Materials Data on AgSbS2 by Materials Project},
abstractNote = {AgSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.70 Å) and four longer (2.81 Å) Ag–S bond lengths. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with six equivalent SbS6 octahedra, edges with four equivalent SbS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.70 Å) and four longer (2.81 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form SAg4Sb2 octahedra that share corners with six equivalent SAg4Sb2 octahedra and edges with twelve SAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1677985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}