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Title: Materials Data on Sm2Co2O5 by Materials Project

Abstract

Sm2Co2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.77 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra and corners with two equivalent CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Co–O bond distances ranging from 2.01–2.26 Å. In the second Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two equivalent CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Co–O bond distances ranging from 1.94–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent Co2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm3+ and two Co2+ atoms. In the third O2- site, O2- is bonded to twomore » equivalent Sm3+ and two equivalent Co2+ atoms to form corner-sharing OSm2Co2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1076063
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; Sm2Co2O5; Co-O-Sm
OSTI Identifier:
1475755
DOI:
10.17188/1475755

Citation Formats

The Materials Project. Materials Data on Sm2Co2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1475755.
The Materials Project. Materials Data on Sm2Co2O5 by Materials Project. United States. doi:10.17188/1475755.
The Materials Project. 2020. "Materials Data on Sm2Co2O5 by Materials Project". United States. doi:10.17188/1475755. https://www.osti.gov/servlets/purl/1475755. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1475755,
title = {Materials Data on Sm2Co2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Co2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.77 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra and corners with two equivalent CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Co–O bond distances ranging from 2.01–2.26 Å. In the second Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two equivalent CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Co–O bond distances ranging from 1.94–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent Co2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm3+ and two Co2+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Co2+ atoms to form corner-sharing OSm2Co2 tetrahedra.},
doi = {10.17188/1475755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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