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DOE OSTI2020

Materials Data on Yb3GeO by Materials Project

Yb3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.63 Å. Both Yb–O bond lengths are 2.35 Å. In the second Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.55 Å. Both Yb–O bond lengths are 2.35 Å. Ge is bonded to twelve Yb atoms to form distorted GeYb12 cuboctahedra that share corners with twelve equivalent GeYb12 cuboctahedra, faces with six equivalent GeYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent GeYb12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGeO3 by Materials Project

YbGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Yb–O bond lengths are 2.64 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 YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.87 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3GeO by Materials Project

Yb3GeO crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.06–3.53 Å. Both Yb–O bond lengths are 2.34 Å. In the second Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.11–3.48 Å. There are one shorter (2.33 Å) and one longer (2.34 Å) Yb–O bond lengths. In the third Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.11–3.48 Å. There are one shorter (2.33 Å) and one longer (2.34 Å) Yb–O bond lengths. Ge is bonded to twelve Yb atoms to form distorted GeYb12 cuboctahedra that share corners with twelve equivalent GeYb12 cuboctahedra, faces with six equivalent GeYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent GeYb12 cuboctahedra. The corner-sharing octahedra tilt angles range from 9–12°.

36 MATERIALS SCIENCE↗