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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on EuGaO3 by Materials Project

EuGaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to six equivalent O2- atoms. All Eu–O bond lengths are 2.35 Å. Ga3+ is bonded to five O2- atoms to form corner-sharing GaO5 trigonal bipyramids. There are two shorter (1.88 Å) and three longer (2.12 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to three equivalent Eu3+ and one Ga3+ atom to form a mixture of corner and edge-sharing OEu3Ga tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Ga2O5 by Materials Project

Eu2Ga2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.55 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent GaO5 square pyramids. There are four shorter (2.78 Å) and eight longer (2.93 Å) Eu–O bond lengths. Ga3+ is bonded to five O2- atoms to form GaO5 square pyramids that share corners with five equivalent GaO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There is one shorter (1.90 Å) and four longer (1.99 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Eu2+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Ga5O12 by Materials Project

Eu3Ga5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.42 Å) and four longer (2.54 Å) Eu–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–O bond lengths are 1.88 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.03 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGaO3 by Materials Project

EuGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.68 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Ga–O bond distances ranging from 1.99–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OEu2Ga2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3GaO6 by Materials Project

Eu3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five EuO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, edges with five EuO7 pentagonal bipyramids, an edgeedge with one GaO4 tetrahedra, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.27–2.66 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, a cornercorner with one GaO4 tetrahedra, edges with eight EuO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.34–2.49 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with seven EuO7 pentagonal bipyramids and edges with three EuO7 pentagonal bipyramids. There is two shorter (1.87 Å) and two longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing OEu3Ga trigonal pyramids. In the second O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with six OEu3Ga tetrahedra, corners with six equivalent OEu3Ga trigonal pyramids, edges with three equivalent OEu4 tetrahedra, and an edgeedge with one OEu3Ga trigonal pyramid. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Eu3+ and one Ga3+ atom. In the fourth O2- site, O2- is bonded to three Eu3+ and one Ga3+ atom to form distorted OEu3Ga tetrahedra that share corners with eight equivalent OEu4 tetrahedra, corners with four equivalent OEu3Ga trigonal pyramids, and edges with two equivalent OEu3Ga trigonal pyramids.

36 MATERIALS SCIENCE↗