U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Eu2NiO4 by Materials Project
Abstract
Eu2NiO4 is (La,Ba)CuO4 structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.30–2.76 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.90 Å) and two longer (2.11 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Eu3+ and one Ni2+ atom to form distorted OEu5Ni octahedra that share corners with seventeen OEu5Ni octahedra, edges with eight equivalent OEu5Ni octahedra, and faces with four equivalent OEu4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 2–53°. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent Ni2+ atoms to form distorted OEu4Ni2 octahedra that share corners with fourteen OEu5Ni octahedra, edges with two equivalent OEu4Ni2 octahedra, and faces with eight OEu5Ni octahedra. The corner-sharing octahedra tilt angles range from 1–53°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-770352
- 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; Eu2NiO4; Eu-Ni-O
- OSTI Identifier:
- 1299714
- DOI:
- https://doi.org/10.17188/1299714
Citation Formats
The Materials Project. Materials Data on Eu2NiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299714.
The Materials Project. Materials Data on Eu2NiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1299714
The Materials Project. 2020.
"Materials Data on Eu2NiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1299714. https://www.osti.gov/servlets/purl/1299714. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1299714,
title = {Materials Data on Eu2NiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2NiO4 is (La,Ba)CuO4 structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.30–2.76 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.90 Å) and two longer (2.11 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Eu3+ and one Ni2+ atom to form distorted OEu5Ni octahedra that share corners with seventeen OEu5Ni octahedra, edges with eight equivalent OEu5Ni octahedra, and faces with four equivalent OEu4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 2–53°. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent Ni2+ atoms to form distorted OEu4Ni2 octahedra that share corners with fourteen OEu5Ni octahedra, edges with two equivalent OEu4Ni2 octahedra, and faces with eight OEu5Ni octahedra. The corner-sharing octahedra tilt angles range from 1–53°.},
doi = {10.17188/1299714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}