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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn2Ge3O8 by Materials Project

Zn2Ge3O8 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with nine equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There is three shorter (1.97 Å) and one longer (2.02 Å) Zn–O bond length. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four equivalent GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.85–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Zn2+ and three equivalent Ge4+ atoms to form distorted corner-sharing OZnGe3 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnGeO3 by Materials Project

ZnGeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.02 Å) and three longer (2.34 Å) Zn–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form edge-sharing GeO6 octahedra. There is three shorter (1.90 Å) and three longer (1.96 Å) Ge–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Zn2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnGeO3 by Materials Project

ZnGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Zn–O bond lengths are 2.63 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Zn2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnGeO3 by Materials Project

ZnGeO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Zn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.00 Å) and three longer (2.30 Å) Zn–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There is three shorter (1.90 Å) and three longer (1.99 Å) Ge–O bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Zn2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗