Materials Data on Nd2GeO5 by Materials Project

Abstract

Nd2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.70 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.62 Å. Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.86–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share corners with five ONd4 tetrahedra and edges with three ONd3Ge tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one O2- atom. The O–O bond length is 1.54 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to three Nd3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing ONd3Ge tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+, one Ge4+, and one O2- atom.