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Title: Materials Data on SrFe2Se2O by Materials Project

Abstract

SrFe2Se2O crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a distorted water-like geometry to six equivalent Se2- and two equivalent O2- atoms. There are four shorter (3.32 Å) and two longer (3.50 Å) Sr–Se bond lengths. Both Sr–O bond lengths are 2.53 Å. Fe2+ is bonded to three equivalent Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing FeSe3O tetrahedra. There are two shorter (2.57 Å) and one longer (2.60 Å) Fe–Se bond lengths. The Fe–O bond length is 1.95 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Sr2+ and three equivalent Fe2+ atoms. O2- is bonded to two equivalent Sr2+ and two equivalent Fe2+ atoms to form corner-sharing OSr2Fe2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1095252
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; SrFe2Se2O; Fe-O-Se-Sr
OSTI Identifier:
1739269
DOI:
https://doi.org/10.17188/1739269

Citation Formats

The Materials Project. Materials Data on SrFe2Se2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739269.
The Materials Project. Materials Data on SrFe2Se2O by Materials Project. United States. doi:https://doi.org/10.17188/1739269
The Materials Project. 2020. "Materials Data on SrFe2Se2O by Materials Project". United States. doi:https://doi.org/10.17188/1739269. https://www.osti.gov/servlets/purl/1739269. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739269,
title = {Materials Data on SrFe2Se2O by Materials Project},
author = {The Materials Project},
abstractNote = {SrFe2Se2O crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a distorted water-like geometry to six equivalent Se2- and two equivalent O2- atoms. There are four shorter (3.32 Å) and two longer (3.50 Å) Sr–Se bond lengths. Both Sr–O bond lengths are 2.53 Å. Fe2+ is bonded to three equivalent Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing FeSe3O tetrahedra. There are two shorter (2.57 Å) and one longer (2.60 Å) Fe–Se bond lengths. The Fe–O bond length is 1.95 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Sr2+ and three equivalent Fe2+ atoms. O2- is bonded to two equivalent Sr2+ and two equivalent Fe2+ atoms to form corner-sharing OSr2Fe2 tetrahedra.},
doi = {10.17188/1739269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}