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Title: Materials Data on SmCuO3 by Materials Project

Abstract

SmCuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.53 Å. Cu3+ is bonded to six O2- atoms to form distorted corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There are a spread of Cu–O bond distances ranging from 1.86–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cu3+ atoms to form distorted corner-sharing OSm2Cu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent Cu3+ atoms.

Publication Date:
Other Number(s):
mp-770767
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; SmCuO3; Cu-O-Sm
OSTI Identifier:
1300082
DOI:
10.17188/1300082

Citation Formats

The Materials Project. Materials Data on SmCuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300082.
The Materials Project. Materials Data on SmCuO3 by Materials Project. United States. doi:10.17188/1300082.
The Materials Project. 2020. "Materials Data on SmCuO3 by Materials Project". United States. doi:10.17188/1300082. https://www.osti.gov/servlets/purl/1300082. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1300082,
title = {Materials Data on SmCuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.53 Å. Cu3+ is bonded to six O2- atoms to form distorted corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There are a spread of Cu–O bond distances ranging from 1.86–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cu3+ atoms to form distorted corner-sharing OSm2Cu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent Cu3+ atoms.},
doi = {10.17188/1300082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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