Materials Data on YCO4 by Materials Project

Abstract

YCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.22–2.83 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 Y atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Y and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom.