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Title: Materials Data on BaSm2CoO5 by Materials Project

Abstract

BaSm2CoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.97 Å) and eight longer (3.01 Å) Ba–O bond lengths. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.48 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.27 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Sm3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Sm3+, and two equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-19248
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; BaSm2CoO5; Ba-Co-O-Sm
OSTI Identifier:
1194132
DOI:
https://doi.org/10.17188/1194132

Citation Formats

The Materials Project. Materials Data on BaSm2CoO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194132.
The Materials Project. Materials Data on BaSm2CoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1194132
The Materials Project. 2020. "Materials Data on BaSm2CoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1194132. https://www.osti.gov/servlets/purl/1194132. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194132,
title = {Materials Data on BaSm2CoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSm2CoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.97 Å) and eight longer (3.01 Å) Ba–O bond lengths. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.48 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.27 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Sm3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Sm3+, and two equivalent Co2+ atoms.},
doi = {10.17188/1194132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}