Materials Data on TaAgS3 by Materials Project
AgTaS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ta–S bond distances ranging from 2.54–2.65 Å. Ag1+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the third S2- site, S2- is bonded to two equivalent Ta5+ and two equivalent Ag1+ atoms to form corner-sharing STa2Ag2 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:
- 1271931
- Report Number(s):
- mp-561242
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TaAg7S6 by Materials Project
Materials Data on AgSb3PbS6 by Materials Project