Materials Data on Fe2AgS3 by Materials Project
AgFe2S3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Fe+2.50+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra, corners with five equivalent AgS4 trigonal pyramids, and edges with two equivalent FeS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.13–2.15 Å. Ag1+ is bonded to four S2- atoms to form distorted AgS4 trigonal pyramids that share corners with ten equivalent FeS4 tetrahedra and corners with two equivalent AgS4 trigonal pyramids. There are a spread of Ag–S bond distances ranging from 2.51–2.62 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Fe+2.50+ and one Ag1+ atom. In the second S2- site, S2- is bonded to two equivalent Fe+2.50+ and two equivalent Ag1+ atoms to form distorted corner-sharing SFe2Ag2 trigonal pyramids.
- 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:
- 1266607
- Report Number(s):
- mp-542627
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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