Materials Data on Ag3S(NO)3 by Materials Project
Ag3S(NO)3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3S(NO)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two N+1.67+ atoms. There are one shorter (2.01 Å) and one longer (2.17 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N+1.67+ atoms. There are one shorter (2.15 Å) and one longer (2.19 Å) Ag–N bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded to three Ag1+ and one S2- atom to form distorted corner-sharing NAg3S tetrahedra. The N–S bond length is 1.60 Å. In the second N+1.67+ site, N+1.67+ is bonded to two equivalent Ag1+, one S2-, and one O2- atom to form distorted corner-sharing NAg2SO tetrahedra. The N–S bond length is 1.92 Å. The N–O bond length is 1.24 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Ag1+ atom. S2- is bonded in a distorted tetrahedral geometry to two N+1.67+ and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1655356
- Report Number(s):
- mp-1182998
- Country of Publication:
- United States
- Language:
- English
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