Materials Data on Nd2O3 by Materials Project

Abstract

Nd2O3 crystallizes in the orthorhombic Pmmm space group. The structure is two-dimensional and consists of one NdO ribbon oriented in the (0, 1, 0) direction and one NdO2 sheet oriented in the (0, 0, 1) direction. In the NdO ribbon, Nd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Nd–O bond lengths are 2.29 Å. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms. In the NdO2 sheet, Nd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.24 Å) and two longer (2.29 Å) Nd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nd3+ atoms.