Results for “Dy2Ge2O7”

DOE OSTI2020

Materials Data on Dy2Ge2O7 by Materials Project

Dy2Ge2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent DyO6 pentagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.25–2.31 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent DyO6 pentagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.26–2.34 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six DyO6 pentagonal pyramids and a cornercorner with one GeO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Dy2Ge2O7 by Materials Project

Dy2Ge2O7 is Baddeleyite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent DyO7 pentagonal bipyramids, corners with four GeO4 tetrahedra, edges with two equivalent DyO7 pentagonal bipyramids, and edges with two GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.24–2.47 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent DyO7 pentagonal bipyramids, corners with four GeO4 tetrahedra, edges with two equivalent DyO7 pentagonal bipyramids, and edges with two GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.24–2.46 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four DyO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and edges with two DyO7 pentagonal bipyramids. There is three shorter (1.76 Å) and one longer (1.84 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four DyO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and edges with two DyO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗