U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaEu2O4 by Materials Project
Abstract
Eu2BaO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.02 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Eu–O bond distances ranging from 2.33–2.44 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.34 Å) and four longer (2.42 Å) Eu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and threemore »
- Publication Date:
- Other Number(s):
- mp-1019738
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-Eu-O; BaEu2O4; crystal structure
- OSTI Identifier:
- 1350577
- DOI:
- https://doi.org/10.17188/1350577
Citation Formats
Materials Data on BaEu2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350577.
Materials Data on BaEu2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1350577
2020.
"Materials Data on BaEu2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1350577. https://www.osti.gov/servlets/purl/1350577. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350577,
title = {Materials Data on BaEu2O4 by Materials Project},
abstractNote = {Eu2BaO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.02 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Eu–O bond distances ranging from 2.33–2.44 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.34 Å) and four longer (2.42 Å) Eu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 trigonal bipyramids.},
doi = {10.17188/1350577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}