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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2GeO5 by Materials Project

Dy2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.70 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent DyO6 octahedra. There are a spread of Dy–O bond distances ranging from 2.22–2.34 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 44–69°. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded to four Dy3+ atoms to form distorted edge-sharing ODy4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Dy3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Ge2O7 by Materials Project

Dy2Ge2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent DyO6 octahedra. 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 equivalent DyO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–63°. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent 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 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↗
DOE OSTI2020

Materials Data on Dy2Ge2O7 by Materials Project

Dy2Ge2O7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to eight O2- atoms to form distorted DyO8 hexagonal bipyramids that share corners with two equivalent GeO4 tetrahedra, edges with two equivalent DyO8 hexagonal bipyramids, edges with two equivalent DyO6 octahedra, and edges with four GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.33–2.57 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with two equivalent DyO6 octahedra, corners with six GeO4 tetrahedra, and edges with two equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are a spread of Dy–O bond distances ranging from 2.25–2.33 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 two equivalent DyO8 hexagonal bipyramids, corners with two equivalent DyO6 octahedra, a cornercorner with one GeO4 tetrahedra, and edges with two equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There is three shorter (1.75 Å) and one longer (1.79 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 equivalent DyO6 octahedra, a cornercorner with one GeO4 tetrahedra, and edges with two equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Dy3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Dy3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Dy3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3GeO8 by Materials Project

Dy3GeO8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.31–2.46 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.25–2.40 Å. Ge is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Ge–O bond distances ranging from 1.81–1.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Dy and one Ge atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the third O site, O is bonded to three Dy and one Ge atom to form a mixture of edge and corner-sharing ODy3Ge tetrahedra. In the fourth O site, O is bonded to three Dy and one Ge atom to form a mixture of edge and corner-sharing ODy3Ge tetrahedra. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Ge2O5 by Materials Project

Dy2Ge2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.18 Å) and one longer (2.33 Å) Dy–O bond lengths. There are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ge–O bond lengths are 2.21 Å. In the second Ge2+ site, Ge2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ge–O bond lengths are 2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ge2+ atoms to form ODy2Ge2 tetrahedra that share corners with two equivalent ODy2Ge4 octahedra, corners with ten equivalent ODy2Ge2 tetrahedra, and edges with five equivalent ODy2Ge2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second O2- site, O2- is bonded to two equivalent Dy3+ and four equivalent Ge2+ atoms to form ODy2Ge4 octahedra that share corners with four equivalent ODy2Ge4 octahedra, corners with eight equivalent ODy2Ge2 tetrahedra, and edges with four equivalent ODy2Ge4 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗