Materials Data on Eu2Zr2O7 by Materials Project
Abstract
Eu2Zr2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the third Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.35 Å) and six longer (2.62 Å) Eu–O bond lengths. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-685944
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Eu2Zr2O7; Eu-O-Zr
- OSTI Identifier:
- 1284245
- DOI:
- https://doi.org/10.17188/1284245
Citation Formats
The Materials Project. Materials Data on Eu2Zr2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284245.
The Materials Project. Materials Data on Eu2Zr2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1284245
The Materials Project. 2020.
"Materials Data on Eu2Zr2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1284245. https://www.osti.gov/servlets/purl/1284245. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1284245,
title = {Materials Data on Eu2Zr2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Zr2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Eu–O bond lengths. In the third Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.35 Å) and six longer (2.62 Å) Eu–O bond lengths. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two Zr4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two equivalent Zr4+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two Zr4+ atoms to form a mixture of distorted edge and corner-sharing OEu2Zr2 tetrahedra. In the fourth O2- site, O2- is bonded to two Eu3+ and two Zr4+ atoms to form a mixture of distorted edge and corner-sharing OEu2Zr2 tetrahedra. In the fifth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.},
doi = {10.17188/1284245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}