Materials Data on Ag2H2IOF by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1284560· OSTI ID:1284560

Ag2H2OIF crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.43 Å. There are one shorter (2.81 Å) and one longer (2.90 Å) Ag–I bond lengths. The Ag–F bond length is 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.35 Å. There are one shorter (2.86 Å) and one longer (2.94 Å) Ag–I bond lengths. The Ag–F bond length is 2.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.58 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.57 Å. O2- is bonded in a distorted water-like geometry to two Ag1+ and two H1+ atoms. I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms. F1- is bonded in a distorted tetrahedral geometry to two Ag1+ and two H1+ atoms.

• 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: 1284560
• Report Number(s): mp-690687
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-F-H-I-O
Ag2H2IOF
crystal structure