Materials Data on Ag4S(NO)2 by Materials Project

Dataset · Wed Jul 22 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1271741· OSTI ID:1271741

Ag4(NSO2N) crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N1+ atoms. There are one shorter (2.15 Å) and one longer (2.20 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two N1+ and one O2- atom. There are one shorter (2.19 Å) and one longer (2.21 Å) Ag–N bond lengths. The Ag–O bond length is 2.80 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two N1+ atoms. There are one shorter (2.15 Å) and one longer (2.22 Å) Ag–N bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to one N1+ and one O2- atom. The Ag–N bond length is 2.23 Å. The Ag–O bond length is 2.19 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 5-coordinate geometry to four Ag1+ and one S2- atom. The N–S bond length is 1.66 Å. In the second N1+ site, N1+ is bonded in a distorted tetrahedral geometry to three Ag1+ and one S2- atom. The N–S bond length is 1.60 Å. S2- is bonded in a tetrahedral geometry to two N1+ and two O2- atoms. There is one shorter (1.47 Å) and one longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and 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: 1271741
• Report Number(s): mp-560947
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-N-O-S
Ag4S(NO)2
crystal structure