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Title: Materials Data on Sm2MgIrO6 by Materials Project

Abstract

Sm2MgIrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Mg–O bond distances ranging from 2.06–2.09 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Ir–O bond distances ranging from 2.03–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Sm3+, and one Ir4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Sm3+, and one Ir4+ atom. In the third O2- site, O2- is bonded to one Mg2+, two equivalent Sm3+, and one Ir4+ atom to form distorted corner-sharing OSm2MgIr trigonal pyramids.

Publication Date:
Other Number(s):
mp-980108
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; Sm2MgIrO6; Ir-Mg-O-Sm
OSTI Identifier:
1316238
DOI:
10.17188/1316238

Citation Formats

The Materials Project. Materials Data on Sm2MgIrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316238.
The Materials Project. Materials Data on Sm2MgIrO6 by Materials Project. United States. doi:10.17188/1316238.
The Materials Project. 2020. "Materials Data on Sm2MgIrO6 by Materials Project". United States. doi:10.17188/1316238. https://www.osti.gov/servlets/purl/1316238. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1316238,
title = {Materials Data on Sm2MgIrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2MgIrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Mg–O bond distances ranging from 2.06–2.09 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Ir–O bond distances ranging from 2.03–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Sm3+, and one Ir4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Sm3+, and one Ir4+ atom. In the third O2- site, O2- is bonded to one Mg2+, two equivalent Sm3+, and one Ir4+ atom to form distorted corner-sharing OSm2MgIr trigonal pyramids.},
doi = {10.17188/1316238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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