Materials Data on Yb2CO7 by Materials Project

Abstract

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.