Materials Data on Na2NdGeO5 by Materials Project

Abstract

Na2NdGeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.41–2.94 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.61 Å. Ge is bonded in a tetrahedral geometry to four O atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to two equivalent Na and two equivalent Nd atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent Na, two equivalent Nd, and one Ge atom. In the third O site, O is bonded in a 4-coordinate geometry to four equivalent Na, one Nd, and one Ge atom. In the fourth O site, O is bonded in a 4-coordinate geometry to four equivalent Na, one Nd, and one Ge atom.