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Title: Materials Data on Sr3ZnIrO6 by Materials Project

Abstract

Sr3ZnIrO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.74 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Ir–O bond lengths are 2.04 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. All Zn–O bond lengths are 2.23 Å. O2- is bonded to four equivalent Sr2+, one Ir4+, and one Zn2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4ZnIr octahedra. The corner-sharing octahedra tilt angles range from 0–66°.

Publication Date:
Other Number(s):
mp-6723
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; Sr3ZnIrO6; Ir-O-Sr-Zn
OSTI Identifier:
1281832
DOI:
10.17188/1281832

Citation Formats

The Materials Project. Materials Data on Sr3ZnIrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281832.
The Materials Project. Materials Data on Sr3ZnIrO6 by Materials Project. United States. doi:10.17188/1281832.
The Materials Project. 2020. "Materials Data on Sr3ZnIrO6 by Materials Project". United States. doi:10.17188/1281832. https://www.osti.gov/servlets/purl/1281832. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1281832,
title = {Materials Data on Sr3ZnIrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3ZnIrO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.74 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Ir–O bond lengths are 2.04 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. All Zn–O bond lengths are 2.23 Å. O2- is bonded to four equivalent Sr2+, one Ir4+, and one Zn2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4ZnIr octahedra. The corner-sharing octahedra tilt angles range from 0–66°.},
doi = {10.17188/1281832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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