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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Si2Ag6O7 by Materials Project

Ag6Si2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are twelve inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.57 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.46 Å. In the third 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 2.22–2.84 Å. In the fourth 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 2.29–2.70 Å. In the fifth 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 2.28–2.77 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 2.25–2.84 Å. In the seventh 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 2.28–2.76 Å. In the eighth 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 2.36–2.67 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.78 Å. In the tenth Ag1+ site, Ag1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.43 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.58 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.18 Å) and one longer (2.20 Å) Ag–O bond lengths. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and two Si4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and two Si4+ atoms. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Ag1+ and one Si4+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si(AgO)4 by Materials Project

Si(AgO)4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Ag1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.15–2.65 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2Ag6O7 by Materials Project

Ag6Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share a cornercorner with one AgO4 tetrahedra, corners with four SiO4 tetrahedra, a cornercorner with one AgO4 trigonal pyramid, and an edgeedge with one AgO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.33–2.57 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share a cornercorner with one AgO4 tetrahedra, corners with four SiO4 tetrahedra, and an edgeedge with one AgO4 trigonal pyramid. There are a spread of Ag–O bond distances ranging from 2.27–2.51 Å. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.08 Å) and one longer (2.10 Å) Ag–O bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.22 Å) and one longer (2.28 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.49 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AgO4 tetrahedra, corners with two SiO4 tetrahedra, and corners with two equivalent AgO4 trigonal pyramids. There is three shorter (1.64 Å) and one longer (1.66 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AgO4 tetrahedra and corners with four equivalent AgO4 trigonal pyramids. There is three shorter (1.66 Å) and one longer (1.68 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra, corners with four equivalent AgO4 tetrahedra, and corners with two equivalent AgO4 trigonal pyramids. There is three shorter (1.65 Å) and one longer (1.68 Å) Si–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the fifth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing OSiAg3 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ag1+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2Ag6O7 by Materials Project

Ag6Si2O7 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three 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 2.23–2.63 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 2.20–2.98 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.41 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ag1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2Ag2O5 by Materials Project

Ag2Si2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.73 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiAg5O4 by Materials Project

Ag5SiO4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Ag+2.40+ sites. In the first Ag+2.40+ site, Ag+2.40+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. In the second Ag+2.40+ site, Ag+2.40+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.52 Å. In the third Ag+2.40+ site, Ag+2.40+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.36 Å. Si4- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiAgO3 by Materials Project

AgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag2+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Ag–O bond lengths are 2.56 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Ag2+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗