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Title: Materials Data on Sm2MnRhO6 by Materials Project

Abstract

Sm2MnRhO6 crystallizes in the monoclinic P2_1/c 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 2.34–2.72 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are two shorter (1.95 Å) and four longer (2.11 Å) Mn–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are two shorter (2.07 Å) and four longer (2.09 Å) Rh–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Mn2+, and one Rh4+ atom to form distorted corner-sharing OSm2MnRh trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Mn2+, and one Rh4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Mn2+, and one Rh4+ atom.

Publication Date:
Other Number(s):
mp-1219164
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; Sm2MnRhO6; Mn-O-Rh-Sm
OSTI Identifier:
1757726
DOI:
https://doi.org/10.17188/1757726

Citation Formats

The Materials Project. Materials Data on Sm2MnRhO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757726.
The Materials Project. Materials Data on Sm2MnRhO6 by Materials Project. United States. doi:https://doi.org/10.17188/1757726
The Materials Project. 2020. "Materials Data on Sm2MnRhO6 by Materials Project". United States. doi:https://doi.org/10.17188/1757726. https://www.osti.gov/servlets/purl/1757726. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757726,
title = {Materials Data on Sm2MnRhO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2MnRhO6 crystallizes in the monoclinic P2_1/c 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 2.34–2.72 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are two shorter (1.95 Å) and four longer (2.11 Å) Mn–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are two shorter (2.07 Å) and four longer (2.09 Å) Rh–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Mn2+, and one Rh4+ atom to form distorted corner-sharing OSm2MnRh trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Mn2+, and one Rh4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Mn2+, and one Rh4+ atom.},
doi = {10.17188/1757726},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}