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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbCO3 by Materials Project

YbCO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. In the second Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCO3 by Materials Project

YbCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing YbO8 hexagonal bipyramids. There are a spread of Yb–O bond distances ranging from 2.31–2.70 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCO4 by Materials Project

YbCO4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Yb is bonded to eight O atoms to form a mixture of distorted corner and edge-sharing YbO8 hexagonal bipyramids. There are a spread of Yb–O bond distances ranging from 2.32–2.52 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Yb and one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Yb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Yb and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CO7 by Materials Project

Yb2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.78 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the second O site, O is bonded in a water-like geometry to one Yb and one C atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Yb atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one C atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two Yb and one C atom. In the seventh O site, O is bonded in a 2-coordinate geometry to three Yb atoms.

36 MATERIALS SCIENCE↗