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Title: Materials Data on Sr2TbIrO6 by Materials Project

Abstract

Sr2TbIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.94 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.24 Å) and two longer (2.25 Å) Tb–O bond lengths. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. All Ir–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tb3+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tb3+, and one Ir5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Tb3+, and one Ir5+ atom.

Publication Date:
Other Number(s):
mp-6362
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; Sr2TbIrO6; Ir-O-Sr-Tb
OSTI Identifier:
1279558
DOI:
10.17188/1279558

Citation Formats

The Materials Project. Materials Data on Sr2TbIrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279558.
The Materials Project. Materials Data on Sr2TbIrO6 by Materials Project. United States. doi:10.17188/1279558.
The Materials Project. 2020. "Materials Data on Sr2TbIrO6 by Materials Project". United States. doi:10.17188/1279558. https://www.osti.gov/servlets/purl/1279558. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279558,
title = {Materials Data on Sr2TbIrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2TbIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.94 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.24 Å) and two longer (2.25 Å) Tb–O bond lengths. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. All Ir–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tb3+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tb3+, and one Ir5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Tb3+, and one Ir5+ atom.},
doi = {10.17188/1279558},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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