Materials Data on Nd4Os6O19 by Materials Project

Abstract

Nd4Os6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.53 Å. Os+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Os–O bond distances ranging from 1.96–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Os+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nd3+ and two equivalent Os+4.33+ atoms.