Materials Data on AgAsS2 by Materials Project

Dataset · Thu May 11 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1189737· OSTI ID:1189737

The Materials Project

AgAsS2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.64–3.37 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent As3+ atoms. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As tetrahedra.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1189737
• Report Number(s): mp-13740
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
AgAsS2
Ag-As-S