U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba(AgS)2 by Materials Project
Abstract
Ba(AgS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent S2- atoms to form BaS6 octahedra that share corners with twelve equivalent AgS4 tetrahedra, edges with six equivalent BaS6 octahedra, and edges with six equivalent AgS4 tetrahedra. All Ba–S bond lengths are 3.16 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with six equivalent BaS6 octahedra, corners with six equivalent AgS4 tetrahedra, edges with three equivalent BaS6 octahedra, and edges with three equivalent AgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are one shorter (2.69 Å) and three longer (2.70 Å) Ag–S bond lengths. S2- is bonded to three equivalent Ba2+ and four equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing SBa3Ag4 pentagonal bipyramids.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1309161
- Report Number(s):
- mp-8579
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Ba(AgS)2; Ag-Ba-S
Citation Formats
The Materials Project. Materials Data on Ba(AgS)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1309161.
The Materials Project. Materials Data on Ba(AgS)2 by Materials Project. United States. https://doi.org/10.17188/1309161
The Materials Project. 2020.
"Materials Data on Ba(AgS)2 by Materials Project". United States. https://doi.org/10.17188/1309161. https://www.osti.gov/servlets/purl/1309161.
@article{osti_1309161,
title = {Materials Data on Ba(AgS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(AgS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent S2- atoms to form BaS6 octahedra that share corners with twelve equivalent AgS4 tetrahedra, edges with six equivalent BaS6 octahedra, and edges with six equivalent AgS4 tetrahedra. All Ba–S bond lengths are 3.16 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with six equivalent BaS6 octahedra, corners with six equivalent AgS4 tetrahedra, edges with three equivalent BaS6 octahedra, and edges with three equivalent AgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are one shorter (2.69 Å) and three longer (2.70 Å) Ag–S bond lengths. S2- is bonded to three equivalent Ba2+ and four equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing SBa3Ag4 pentagonal bipyramids.},
doi = {10.17188/1309161},
url = {https://www.osti.gov/biblio/1309161},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}