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Title: Materials Data on Sr2In2O5 by Materials Project

Abstract

Sr2In2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.86 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of In–O bond distances ranging from 2.14–2.29 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with two equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are two shorter (2.05 Å) and two longer (2.14 Å) In–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent In3+ atoms to form distorted corner-sharing OSr2In2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two In3+ atoms. In the third O2- site, O2- is bondedmore » in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent In3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-22512
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2In2O5; In-O-Sr
OSTI Identifier:
1198754
DOI:
https://doi.org/10.17188/1198754

Citation Formats

The Materials Project. Materials Data on Sr2In2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198754.
The Materials Project. Materials Data on Sr2In2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1198754
The Materials Project. 2020. "Materials Data on Sr2In2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1198754. https://www.osti.gov/servlets/purl/1198754. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198754,
title = {Materials Data on Sr2In2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2In2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.86 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of In–O bond distances ranging from 2.14–2.29 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with two equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are two shorter (2.05 Å) and two longer (2.14 Å) In–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent In3+ atoms to form distorted corner-sharing OSr2In2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two In3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent In3+ atoms.},
doi = {10.17188/1198754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}