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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Eu2(WO4)3 by Materials Project

Eu2(WO4)3 crystallizes in the monoclinic C2/c 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 2.34–2.52 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.84 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.13 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuWO2 by Materials Project

EuWO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent O2- atoms to form edge-sharing EuO6 octahedra. There are two shorter (2.52 Å) and four longer (2.54 Å) Eu–O bond lengths. W2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All W–O bond lengths are 2.22 Å. O2- is bonded to three equivalent Eu2+ and two equivalent W2+ atoms to form a mixture of distorted edge and corner-sharing OEu3W2 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuWO3 by Materials Project

EuWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Eu–O bond lengths are 2.90 Å. W3+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.05 Å. O2- is bonded to four equivalent Eu3+ and two equivalent W3+ atoms to form a mixture of distorted corner, edge, and face-sharing OEu4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2W2O5 by Materials Project

Eu2W2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.67 Å. In the second Eu3+ site, Eu3+ 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 WO5 square pyramids. There are eight shorter (2.89 Å) and four longer (2.91 Å) Eu–O bond lengths. W2+ is bonded to five O2- atoms to form WO5 square pyramids that share corners with five equivalent WO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There are four shorter (2.06 Å) and one longer (2.12 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ and two equivalent W2+ atoms to form a mixture of distorted edge, face, and corner-sharing OEu4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent W2+ atoms to form a mixture of distorted edge, face, and corner-sharing OEu4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu6WO12 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2WO6 by Materials Project

Eu2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.53 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.79 Å. In the third Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.30–2.72 Å. W6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.13 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Eu3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one W6+ atom. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with six OEu4 tetrahedra and edges with four OEu3W tetrahedra. In the fifth O2- site, O2- is bonded to three Eu3+ and one W6+ atom to form a mixture of edge and corner-sharing OEu3W tetrahedra. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu3+ and one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3WO6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuWO5 by Materials Project

EuWO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.54 Å. W is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.80–2.14 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Eu and one W atom. In the fourth O site, O is bonded in a linear geometry to one Eu and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Eu and one W atom.

36 MATERIALS SCIENCE↗