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Title: Materials Data on Sr2La2FeCu3O10 by Materials Project

Abstract

Sr2La2FeCu3O10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–3.06 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.85 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.99–2.01 Å. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.00 Å) Cu–O bond length. In the second Cu+2.33+ site, Cu+2.33+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with two equivalent FeO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedra tilt angles range from 14–25°. There are a spread of Cu–O bond distances ranging from 1.87–2.24 Å. There are six inequivalent O2- sites.more » In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Cu+2.33+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Fe3+ atoms to form distorted OSr2La2Fe2 octahedra that share corners with fourteen OSr2La2Fe2 octahedra and edges with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with ten OSr2La2Cu2 octahedra, edges with four OSr2La2Fe2 octahedra, and faces with two equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with six OSr2La2Fe2 octahedra, edges with four equivalent OSr2La2Cu2 octahedra, and faces with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.« less

Publication Date:
Other Number(s):
mp-1173276
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; Sr2La2FeCu3O10; Cu-Fe-La-O-Sr
OSTI Identifier:
1680236
DOI:
https://doi.org/10.17188/1680236

Citation Formats

The Materials Project. Materials Data on Sr2La2FeCu3O10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680236.
The Materials Project. Materials Data on Sr2La2FeCu3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1680236
The Materials Project. 2019. "Materials Data on Sr2La2FeCu3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1680236. https://www.osti.gov/servlets/purl/1680236. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680236,
title = {Materials Data on Sr2La2FeCu3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2La2FeCu3O10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–3.06 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.85 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.99–2.01 Å. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.00 Å) Cu–O bond length. In the second Cu+2.33+ site, Cu+2.33+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with two equivalent FeO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedra tilt angles range from 14–25°. There are a spread of Cu–O bond distances ranging from 1.87–2.24 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Cu+2.33+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Fe3+ atoms to form distorted OSr2La2Fe2 octahedra that share corners with fourteen OSr2La2Fe2 octahedra and edges with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with ten OSr2La2Cu2 octahedra, edges with four OSr2La2Fe2 octahedra, and faces with two equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with six OSr2La2Fe2 octahedra, edges with four equivalent OSr2La2Cu2 octahedra, and faces with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.},
doi = {10.17188/1680236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}