Materials Data on CuAg3S2 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280487· OSTI ID:1280487

The Materials Project

Ag3CuS2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.59–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.19 Å. S2- is bonded in a 1-coordinate geometry to seven Ag1+ and one Cu1+ atom.

• 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: 1280487
• Report Number(s): mp-644883
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CuAg3S2
Ag-Cu-S