Materials Data on Y2C3O11 by Materials Project

Abstract

Y2C3O11 crystallizes in the orthorhombic Cmc2_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 2.38–2.51 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.30 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.36 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Y and one C atom. In the second O site, O is bonded in a distorted L-shaped geometry to one Y and one C atom. In the third O site, O is bonded in a single-bond geometry to one Y atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom.