U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaEu2O3 by Materials Project
Abstract
CaEu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with two equivalent CaO6 pentagonal pyramids, and edges with ten equivalent EuO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. Eu2+ is bonded to six O2- atoms to form distorted EuO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with five equivalent CaO6 pentagonal pyramids, and edges with seven equivalent EuO6 pentagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.50–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharingmore »
- Publication Date:
- Other Number(s):
- mp-756336
- 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; Ca-Eu-O; CaEu2O3; crystal structure
- OSTI Identifier:
- 1290481
- DOI:
- https://doi.org/10.17188/1290481
Citation Formats
Materials Data on CaEu2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290481.
Materials Data on CaEu2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1290481
2020.
"Materials Data on CaEu2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1290481. https://www.osti.gov/servlets/purl/1290481. Pub date:Tue Jul 21 20:00:00 EDT 2020
@article{osti_1290481,
title = {Materials Data on CaEu2O3 by Materials Project},
abstractNote = {CaEu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with two equivalent CaO6 pentagonal pyramids, and edges with ten equivalent EuO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. Eu2+ is bonded to six O2- atoms to form distorted EuO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with five equivalent CaO6 pentagonal pyramids, and edges with seven equivalent EuO6 pentagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.50–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°.},
doi = {10.17188/1290481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}