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All sourcesNASA NTRSDOE OSTI
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 cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight O2- atoms to form distorted DyO8 hexagonal bipyramids that share edges with six equivalent DyO8 hexagonal bipyramids and edges with six equivalent GeO6 octahedra. There are two shorter (2.17 Å) and six longer (2.47 Å) Dy–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and edges with six equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ge–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form corner-sharing ODy4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and 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 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent DyO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.24–2.57 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent DyO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one DyO7 pentagonal bipyramid. There is two shorter (1.76 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three 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 distorted bent 150 degrees geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Ge2O7 by Materials Project

Dy2Ge2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four 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 five GeO4 tetrahedra, an edgeedge with one DyO7 pentagonal bipyramid, and an edgeedge with one GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.25–2.42 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.84 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.32–2.60 Å. In the fourth Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with seven GeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.24–2.40 Å. There are four 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 DyO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–69°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one DyO6 octahedra, corners with two equivalent DyO7 pentagonal bipyramids, and an edgeedge with one DyO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 54°. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent DyO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 62–69°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one DyO6 octahedra, corners with two equivalent DyO7 pentagonal bipyramids, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ge–O bond distances ranging from 1.75–1.89 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to three Dy3+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ODy3Ge tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Ge4+ atom. 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 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded to three Dy3+ and one Ge4+ atom to form distorted corner-sharing ODy3Ge tetrahedra. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and one Ge4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two 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↗