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Title: Materials Data on SrEu(CoO3)2 by Materials Project

Abstract

SrEu(CoO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight equivalent EuO12 cuboctahedra, faces with two equivalent EuO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are four shorter (2.68 Å) and eight longer (2.81 Å) Sr–O bond lengths. Eu3+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are eight shorter (2.59 Å) and four longer (2.68 Å) Eu–O bond lengths. Co+3.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–11°. There is five shorter (1.90 Å) and one longer (1.94 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- ismore » bonded in a 2-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Co+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Co+3.50+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Co+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218310
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; SrEu(CoO3)2; Co-Eu-O-Sr
OSTI Identifier:
1672333
DOI:
https://doi.org/10.17188/1672333

Citation Formats

The Materials Project. Materials Data on SrEu(CoO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672333.
The Materials Project. Materials Data on SrEu(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672333
The Materials Project. 2020. "Materials Data on SrEu(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672333. https://www.osti.gov/servlets/purl/1672333. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1672333,
title = {Materials Data on SrEu(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrEu(CoO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight equivalent EuO12 cuboctahedra, faces with two equivalent EuO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are four shorter (2.68 Å) and eight longer (2.81 Å) Sr–O bond lengths. Eu3+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are eight shorter (2.59 Å) and four longer (2.68 Å) Eu–O bond lengths. Co+3.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–11°. There is five shorter (1.90 Å) and one longer (1.94 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Co+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Co+3.50+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Co+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1672333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}