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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgIO3 by Materials Project

AgIO3 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–3.14 Å. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.89 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and three I5+ atoms. There are a spread of O–I bond distances ranging from 1.86–2.83 Å. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one I5+ atom. The O–I bond length is 1.87 Å. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to five O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgIO4 by Materials Project

AgIO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ag3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.59 Å) and four longer (2.62 Å) Ag–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one I5+ atom. The O–I bond length is 1.82 Å. I5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag5IO6 by Materials Project

Ag5O6I crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ag+1.40+ sites. In the first Ag+1.40+ site, Ag+1.40+ is bonded in a 2-coordinate geometry to six equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.84 Å. In the second Ag+1.40+ site, Ag+1.40+ is bonded to six equivalent O2- atoms to form distorted AgO6 pentagonal pyramids that share edges with three equivalent IO6 octahedra and edges with three equivalent AgO6 pentagonal pyramids. There are three shorter (2.52 Å) and three longer (2.64 Å) Ag–O bond lengths. O2- is bonded in a 6-coordinate geometry to five Ag+1.40+ and one I5+ atom. The O–I bond length is 1.94 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share edges with six equivalent AgO6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgIO3 by Materials Project

AgIO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded to six O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Ag–O bond distances ranging from 2.46–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgIO2 by Materials Project

AgO2I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ag is bonded to six equivalent O atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.38–2.60 Å. O is bonded to three equivalent Ag and two equivalent I atoms to form a mixture of distorted edge and corner-sharing OAg3I2 trigonal bipyramids. There are one shorter (2.24 Å) and one longer (2.25 Å) O–I bond lengths. I is bonded in a distorted square co-planar geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgIO3 by Materials Project

AgIO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgIO3 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded to three equivalent Ag1+ and one I5+ atom to form a mixture of distorted edge and corner-sharing OAg3I tetrahedra. The O–I bond length is 1.86 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgI3O8 by Materials Project

AgO8I3 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.52–2.91 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are four shorter (2.47 Å) and two longer (2.91 Å) Ag–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two I5+ atoms. There are one shorter (1.83 Å) and one longer (2.86 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and two equivalent I5+ atoms. There are one shorter (1.82 Å) and one longer (2.74 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two I5+ atoms. There are one shorter (1.97 Å) and one longer (2.09 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.84–2.81 Å. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and two equivalent I5+ atoms. There are one shorter (1.81 Å) and one longer (2.74 Å) O–I bond lengths. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two I5+ atoms. There are one shorter (1.98 Å) and one longer (2.08 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.85–2.82 Å. There are four inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a distorted see-saw-like geometry to four O2- atoms. In the third I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the fourth I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag2IO6 by Materials Project

Ag2O6I crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Ag2O6I sheets oriented in the (0, 0, 1) direction. Ag is bonded in a distorted trigonal planar geometry to three equivalent O atoms. All Ag–O bond lengths are 2.18 Å. O is bonded in a bent 120 degrees geometry to one Ag and one I atom. The O–I bond length is 1.89 Å. I is bonded in an octahedral geometry to six equivalent O atoms.

36 MATERIALS SCIENCE↗