Results for “YbCO3”

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 YbCo3 by Materials Project

YbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Yb–Co bond distances ranging from 2.88–3.01 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Yb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Yb and seven Co atoms to form a mixture of corner, edge, and face-sharing CoYb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Yb and six equivalent Co atoms to form CoYb6Co6 cuboctahedra that share corners with twelve equivalent CoYb5Co7 cuboctahedra, edges with six equivalent CoYb6Co6 cuboctahedra, and faces with eighteen equivalent CoYb5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗