Materials Data on Eu3O4 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1731803· OSTI ID:1731803

Eu3O4 crystallizes in the orthorhombic Pnma 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 2.55–2.59 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.25–2.50 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.31–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Eu+2.67+ atoms. In the second O2- site, O2- is bonded to five Eu+2.67+ atoms to form OEu5 square pyramids that share corners with two equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, edges with four equivalent OEu5 square pyramids, an edgeedge with one OEu5 trigonal bipyramid, and edges with three equivalent OEu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form distorted OEu4 trigonal pyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, and edges with three equivalent OEu5 square pyramids. In the fourth O2- site, O2- is bonded to five Eu+2.67+ atoms to form distorted OEu5 trigonal bipyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu4 trigonal pyramids, an edgeedge with one OEu5 square pyramid, and edges with four equivalent OEu5 trigonal bipyramids.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1731803
• Report Number(s): mp-1182716
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-O
Eu3O4
crystal structure