Materials Data on Y2GeO5 by Materials Project

Abstract

Y2GeO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.34 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.34 Å. In the third Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.34 Å. In the fourth Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.34 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ge–O bond distances ranging from 1.87–2.01 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ge–O bond distances ranging from 1.87–2.00 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded to two Y3+ and two Ge4+ atoms to form distorted corner-sharing OY2Ge2 trigonal pyramids. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded to two Y3+ and two Ge4+ atoms to form distorted corner-sharing OY2Ge2 trigonal pyramids.