Materials Data on Ag3SBr by Materials Project
Ag3SBr crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.49 Å. Both Ag–Br bond lengths are 3.09 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.53 Å) and one longer (2.58 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.03 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.11 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.01 Å. S2- is bonded to six Ag1+ atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.
- 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:
- 1207206
- Report Number(s):
- mp-36600
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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