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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Eu3MoO7 by Materials Project

Eu3MoO7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.86 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.78 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent MoO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 35–45°. There are a spread of Eu–O bond distances ranging from 2.26–2.67 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are a spread of Mo–O bond distances ranging from 1.86–2.13 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu+2.67+ and one Mo6+ atom to form a mixture of distorted corner and edge-sharing OEu3Mo tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.67+ and one Mo6+ atom. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.67+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded to four Eu+2.67+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Eu+2.67+ and two equivalent Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Eu+2.67+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3MoO7 by Materials Project

Eu3MoO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent MoO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent MoO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Eu–O bond distances ranging from 2.28–2.74 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.75 Å) Eu–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There is four shorter (1.93 Å) and two longer (1.98 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu+2.67+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded to four Eu+2.67+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.67+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗