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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ge3Sb2O9 by Materials Project

Ge3Sb2O9 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Ge3Sb2O9 sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge2Sb2O5 by Materials Project

SbGe2SbO5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one antimony molecule and one Ge2SbO5 sheet oriented in the (0, 0, 1) direction. In the Ge2SbO5 sheet, Ge4+ is bonded to five O2- atoms to form GeO5 square pyramids that share corners with five equivalent GeO5 square pyramids and faces with four equivalent SbO12 cuboctahedra. All Ge–O bond lengths are 1.94 Å. Sb1+ is bonded to twelve O2- atoms to form SbO12 cuboctahedra that share corners with four equivalent SbO12 cuboctahedra, faces with four equivalent SbO12 cuboctahedra, and faces with eight equivalent GeO5 square pyramids. There are eight shorter (2.63 Å) and four longer (2.73 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ge4+ and two equivalent Sb1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ and four equivalent Sb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3(SbO3)4 by Materials Project

Sb4Ge3O12 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.77 Å. Sb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.04 Å) and three longer (2.74 Å) Sb–O bond lengths. O2- is bonded in a 2-coordinate geometry to one Ge4+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗