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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on EuY2O4 by Materials Project

EuY2O4 is Spinel structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Eu2+ is bonded to four equivalent O2- atoms to form EuO4 tetrahedra that share corners with twelve equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. All Eu–O bond lengths are 2.39 Å. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent EuO4 tetrahedra and edges with six equivalent YO6 octahedra. There are two shorter (2.31 Å) and four longer (2.32 Å) Y–O bond lengths. O2- is bonded to one Eu2+ and three equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing OEuY3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuY2O4 by Materials Project

EuY2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.94 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.60–2.83 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.85 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.89 Å. There are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–65°. There are a spread of Y–O bond distances ranging from 2.26–2.36 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the third Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–65°. There are a spread of Y–O bond distances ranging from 2.22–2.38 Å. In the fourth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. In the fifth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.37 Å. In the sixth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.38 Å. In the seventh Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the eighth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.26–2.37 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the seventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eleventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the fifteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the sixteenth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Y2O5 by Materials Project

Eu2Y2O5 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. In the second Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. In the third Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.36–2.47 Å. In the fourth Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. There are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.81 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.83 Å. In the third Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.82 Å. In the fourth Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.83 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEu2Y2 tetrahedra. In the third O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 44–52°. In the fourth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra. In the seventh O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. In the eighth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the ninth O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 45–51°. In the tenth O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 45–50°. In the eleventh O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the twelfth O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra.

36 MATERIALS SCIENCE↗