Materials Data on Er2CO7 by Materials Project

Abstract

Er2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.77 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.52 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.31 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Er atoms. In the second O site, O is bonded in a distorted water-like geometry to one Er and one C atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Er atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three Er atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Er and one C atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to three Er atoms.