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Title: Materials Data on Sr3Ir2O7 by Materials Project

Abstract

Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.

Publication Date:
Other Number(s):
mp-1173235
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; Sr3Ir2O7; Ir-O-Sr
OSTI Identifier:
1677979
DOI:
https://doi.org/10.17188/1677979

Citation Formats

The Materials Project. Materials Data on Sr3Ir2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677979.
The Materials Project. Materials Data on Sr3Ir2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1677979
The Materials Project. 2019. "Materials Data on Sr3Ir2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1677979. https://www.osti.gov/servlets/purl/1677979. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1677979,
title = {Materials Data on Sr3Ir2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.},
doi = {10.17188/1677979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}