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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiAg3O2 by Materials Project

LiAg3O2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.06 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.16 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.16 Å. O2- is bonded to two equivalent Li1+ and three Ag1+ atoms to form a mixture of distorted corner and edge-sharing OLi2Ag3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Ag3+ is bonded to six equivalent O2- atoms to form edge-sharing AgO6 octahedra. All Ag–O bond lengths are 2.50 Å. O2- is bonded in a 7-coordinate geometry to three equivalent Li1+, three equivalent Ag3+, and one O2- atom. The O–O bond length is 1.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO by Materials Project

LiAgO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.96 Å) and two longer (2.10 Å) Li–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. O2- is bonded to four equivalent Li1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing OLi4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–23°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Li–O bond lengths. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OLi2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OLi2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2AgO tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. In the second Ag3+ site, Ag3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ag3+, and one O2- atom to form distorted OLi2AgO tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with seven OLi2AgO tetrahedra. The O–O bond length is 1.48 Å. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form OLi2Ag2 tetrahedra that share corners with eight OLi2AgO tetrahedra and edges with two equivalent OLi2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form edge-sharing LiO6 octahedra. There are two shorter (2.10 Å) and four longer (2.27 Å) Li–O bond lengths. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi3Ag2 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgO2 by Materials Project

LiAgO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.03 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗