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Title: Materials Data on Sr4Fe4O13 by Materials Project

Abstract

Sr4Fe4O13 crystallizes in the orthorhombic Iba2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.20 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to five O atoms to form a mixture of distorted edge and corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.87–2.09 Å. In the second Fe site, Fe is bonded to five O atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.88–2.11 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Sr and one Fe atom. In the second O site, O is bonded to four Sr and one Fe atom to form distorted OSr4Fe trigonal bipyramids that share cornersmore » with two equivalent OSr4Fe trigonal bipyramids, edges with two equivalent OSr4Fe trigonal bipyramids, and an edgeedge with one OSrFe3 trigonal pyramid. In the third O site, O is bonded in a 5-coordinate geometry to four Sr and one O atom. The O–O bond length is 1.39 Å. In the fourth O site, O is bonded in a 5-coordinate geometry to four Sr and one O atom. In the fifth O site, O is bonded to one Sr and three Fe atoms to form distorted OSrFe3 trigonal pyramids that share corners with four OSrFe3 trigonal pyramids, an edgeedge with one OSr4Fe trigonal bipyramid, and an edgeedge with one OFe4 trigonal pyramid. In the sixth O site, O is bonded in a distorted see-saw-like geometry to one Sr and three equivalent Fe atoms. In the seventh O site, O is bonded to four equivalent Fe atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-1204222
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; Sr4Fe4O13; Fe-O-Sr
OSTI Identifier:
1705638
DOI:
https://doi.org/10.17188/1705638

Citation Formats

The Materials Project. Materials Data on Sr4Fe4O13 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705638.
The Materials Project. Materials Data on Sr4Fe4O13 by Materials Project. United States. doi:https://doi.org/10.17188/1705638
The Materials Project. 2019. "Materials Data on Sr4Fe4O13 by Materials Project". United States. doi:https://doi.org/10.17188/1705638. https://www.osti.gov/servlets/purl/1705638. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705638,
title = {Materials Data on Sr4Fe4O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Fe4O13 crystallizes in the orthorhombic Iba2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.20 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to five O atoms to form a mixture of distorted edge and corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.87–2.09 Å. In the second Fe site, Fe is bonded to five O atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.88–2.11 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Sr and one Fe atom. In the second O site, O is bonded to four Sr and one Fe atom to form distorted OSr4Fe trigonal bipyramids that share corners with two equivalent OSr4Fe trigonal bipyramids, edges with two equivalent OSr4Fe trigonal bipyramids, and an edgeedge with one OSrFe3 trigonal pyramid. In the third O site, O is bonded in a 5-coordinate geometry to four Sr and one O atom. The O–O bond length is 1.39 Å. In the fourth O site, O is bonded in a 5-coordinate geometry to four Sr and one O atom. In the fifth O site, O is bonded to one Sr and three Fe atoms to form distorted OSrFe3 trigonal pyramids that share corners with four OSrFe3 trigonal pyramids, an edgeedge with one OSr4Fe trigonal bipyramid, and an edgeedge with one OFe4 trigonal pyramid. In the sixth O site, O is bonded in a distorted see-saw-like geometry to one Sr and three equivalent Fe atoms. In the seventh O site, O is bonded to four equivalent Fe atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids.},
doi = {10.17188/1705638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}