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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm2Ge2O7 by Materials Project

Sm2Ge2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form distorted SmO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent SmO6 pentagonal pyramids. There are a spread of Sm–O bond distances ranging from 2.32–2.39 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six equivalent SmO6 pentagonal pyramids and a cornercorner with one GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Ge2O7 by Materials Project

Sm2Ge2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent SmO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Sm–O bond distances ranging from 2.29–2.62 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent SmO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one SmO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ 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 Sm2Ge2O7 by Materials Project

Sm2Ge2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent SmO8 hexagonal bipyramids and edges with six equivalent GeO6 octahedra. There are two shorter (2.20 Å) and six longer (2.53 Å) Sm–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 SmO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Ge–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form corner-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗