U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Eu4O3F7 by Materials Project
Abstract
Eu4O3F7 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted q6 geometry to three O and six F atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.55 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.54 Å. In the second Eu site, Eu is bonded in a 9-coordinate geometry to three O and six F atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.50 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.64 Å. There are three inequivalent O sites. In the first O site, O is bonded to four Eu atoms to form OEu4 tetrahedra that share corners with eight FEu4 tetrahedra, edges with two equivalent FEu4 tetrahedra, and edges with four OEu4 tetrahedra. In the second O site, O is bonded to four Eu atoms to form OEu4 tetrahedra that share corners with four equivalent OEu4 tetrahedra, corners with four equivalent FEu4 tetrahedra, edges with two equivalent OEu4 tetrahedra, and edges with four FEu4 tetrahedra. In the third O site, O is bonded to four Eu atomsmore »
- Publication Date:
- Other Number(s):
- mp-753354
- 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; Eu-F-O; Eu4O3F7; crystal structure
- OSTI Identifier:
- 1288999
- DOI:
- https://doi.org/10.17188/1288999
Citation Formats
Materials Data on Eu4O3F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288999.
Materials Data on Eu4O3F7 by Materials Project. United States. doi:https://doi.org/10.17188/1288999
2020.
"Materials Data on Eu4O3F7 by Materials Project". United States. doi:https://doi.org/10.17188/1288999. https://www.osti.gov/servlets/purl/1288999. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1288999,
title = {Materials Data on Eu4O3F7 by Materials Project},
abstractNote = {Eu4O3F7 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted q6 geometry to three O and six F atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.55 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.54 Å. In the second Eu site, Eu is bonded in a 9-coordinate geometry to three O and six F atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.50 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.64 Å. There are three inequivalent O sites. In the first O site, O is bonded to four Eu atoms to form OEu4 tetrahedra that share corners with eight FEu4 tetrahedra, edges with two equivalent FEu4 tetrahedra, and edges with four OEu4 tetrahedra. In the second O site, O is bonded to four Eu atoms to form OEu4 tetrahedra that share corners with four equivalent OEu4 tetrahedra, corners with four equivalent FEu4 tetrahedra, edges with two equivalent OEu4 tetrahedra, and edges with four FEu4 tetrahedra. In the third O site, O is bonded to four Eu atoms to form OEu4 tetrahedra that share corners with four equivalent OEu4 tetrahedra, corners with eight FEu4 tetrahedra, edges with two equivalent OEu4 tetrahedra, and edges with two equivalent FEu4 tetrahedra. There are five inequivalent F sites. In the first F site, F is bonded to four Eu atoms to form FEu4 tetrahedra that share corners with four equivalent FEu4 tetrahedra, corners with eight OEu4 tetrahedra, edges with two equivalent OEu4 tetrahedra, and edges with two equivalent FEu4 tetrahedra. In the second F site, F is bonded to four Eu atoms to form FEu4 tetrahedra that share corners with four equivalent FEu4 tetrahedra, corners with eight OEu4 tetrahedra, edges with two equivalent OEu4 tetrahedra, and edges with two equivalent FEu4 tetrahedra. In the third F site, F is bonded in a trigonal non-coplanar geometry to three Eu atoms. In the fourth F site, F is bonded in a trigonal non-coplanar geometry to three Eu atoms. In the fifth F site, F is bonded to four Eu atoms to form FEu4 tetrahedra that share corners with four equivalent OEu4 tetrahedra, corners with eight FEu4 tetrahedra, and edges with four OEu4 tetrahedra.},
doi = {10.17188/1288999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}