Materials Data on Ag2IOF by Materials Project

Abstract

Ag2OIF crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.13 Å. There are one shorter (2.81 Å) and one longer (2.91 Å) Ag–I bond lengths. The Ag–F bond length is 2.22 Å. In the second Ag2+ site, Ag2+ is bonded in a 2-coordinate geometry to one O2-, two equivalent I1-, and one F1- atom. The Ag–O bond length is 2.13 Å. There are one shorter (2.79 Å) and one longer (2.94 Å) Ag–I bond lengths. The Ag–F bond length is 2.36 Å. O2- is bonded in a 4-coordinate geometry to two Ag2+ and two equivalent F1- atoms. There are one shorter (2.49 Å) and one longer (2.58 Å) O–F bond lengths. I1- is bonded in a 4-coordinate geometry to four Ag2+ atoms. F1- is bonded in a 2-coordinate geometry to two Ag2+ and two equivalent O2- atoms.