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°.
- Publication Date:
- Other Number(s):
- mp-770352
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Eu2NiO4; Eu-Ni-O
- OSTI Identifier:
- 1299714
- DOI:
- 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:10.17188/1299714.
The Materials Project. 2020.
"Materials Data on Eu2NiO4 by Materials Project". United States. doi: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}
}