skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrEu2Fe2O7 by Materials Project

Abstract

SrEu2Fe2O7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.12 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.61 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–24°. There are a spread of Fe–O bond distances ranging from 1.97–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Eu3+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms. In themore » fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms to form distorted edge-sharing OSr2Eu2Fe2 octahedra.« less

Publication Date:
Other Number(s):
mp-603128
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; SrEu2Fe2O7; Eu-Fe-O-Sr
OSTI Identifier:
1268413
DOI:
10.17188/1268413

Citation Formats

The Materials Project. Materials Data on SrEu2Fe2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268413.
The Materials Project. Materials Data on SrEu2Fe2O7 by Materials Project. United States. doi:10.17188/1268413.
The Materials Project. 2020. "Materials Data on SrEu2Fe2O7 by Materials Project". United States. doi:10.17188/1268413. https://www.osti.gov/servlets/purl/1268413. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268413,
title = {Materials Data on SrEu2Fe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SrEu2Fe2O7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.12 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.61 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–24°. There are a spread of Fe–O bond distances ranging from 1.97–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Eu3+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms to form distorted edge-sharing OSr2Eu2Fe2 octahedra.},
doi = {10.17188/1268413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: