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Materials Data on Ag4GeO4 by Materials Project

Ag4(GeO4) is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.48 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.96 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.81 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.38 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.21–2.81 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.91 Å. In the seventh Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.47 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.17–3.13 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.78–1.80 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Ag1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Ag1+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Ag2GeO4 by Materials Project

Ag2GeO4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ag2+ is bonded in a 4-coordinate geometry to six equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.14–2.82 Å. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Ag2+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on AgGeO3 by Materials Project

AgGeO3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ag2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.17–2.53 Å. Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There is two shorter (1.86 Å) and four longer (1.98 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ag2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Ge2 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ag2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ag2GeO3 by Materials Project

Ag2GeO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.68 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.76 Å. Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form a mixture of edge and corner-sharing OAg3Ge tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ag1+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OAg3Ge trigonal pyramids.

36 MATERIALS SCIENCE↗