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Title: Materials Data on SrEuNiO4 by Materials Project

Abstract

SrEuNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.73 Å. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.72 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Ni–O bond distances ranging from 1.92–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Ni3+ atoms to form distorted OSr2Eu2Ni2 octahedra that share corners with fourteen OSrEu4Ni octahedra, edges with two equivalent OSr2Eu2Ni2 octahedra, and faces with eight OSrEu4Ni octahedra. The corner-sharing octahedra tilt angles range from 6–54°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Eu3+, and one Ni3+ atom to form distorted OSrEu4Ni octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range frommore » 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Eu3+, and one Ni3+ atom to form distorted OSr4EuNi octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.« less

Publication Date:
Other Number(s):
mp-1218281
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; SrEuNiO4; Eu-Ni-O-Sr
OSTI Identifier:
1651513
DOI:
https://doi.org/10.17188/1651513

Citation Formats

The Materials Project. Materials Data on SrEuNiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651513.
The Materials Project. Materials Data on SrEuNiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1651513
The Materials Project. 2020. "Materials Data on SrEuNiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1651513. https://www.osti.gov/servlets/purl/1651513. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1651513,
title = {Materials Data on SrEuNiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrEuNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.73 Å. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.72 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Ni–O bond distances ranging from 1.92–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Ni3+ atoms to form distorted OSr2Eu2Ni2 octahedra that share corners with fourteen OSrEu4Ni octahedra, edges with two equivalent OSr2Eu2Ni2 octahedra, and faces with eight OSrEu4Ni octahedra. The corner-sharing octahedra tilt angles range from 6–54°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Eu3+, and one Ni3+ atom to form distorted OSrEu4Ni octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Eu3+, and one Ni3+ atom to form distorted OSr4EuNi octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},
doi = {10.17188/1651513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}