Materials Data on ErCO4 by Materials Project

Abstract

ErCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Er–O bond distances ranging from 2.19–2.86 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Er atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Er and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom.