Materials Data on Y2Ge2O7 by Materials Project

Abstract

Y2Ge2O7 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent YO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.24–2.58 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent YO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Ge4+ atom.