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Title: Materials Data on SrLaAlCuO5 by Materials Project

Abstract

LaSrCuAlO5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–3.01 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.84 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one AlO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.48 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one CuO5 square pyramid and corners with two equivalent AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, one La3+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, three equivalent La3+, one Cu2+, and one Al3+ atom. In the third O2- site, O2- is bonded tomore » two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°.« less

Authors:
Publication Date:
Other Number(s):
mp-1208690
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; SrLaAlCuO5; Al-Cu-La-O-Sr
OSTI Identifier:
1672443
DOI:
https://doi.org/10.17188/1672443

Citation Formats

The Materials Project. Materials Data on SrLaAlCuO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672443.
The Materials Project. Materials Data on SrLaAlCuO5 by Materials Project. United States. doi:https://doi.org/10.17188/1672443
The Materials Project. 2020. "Materials Data on SrLaAlCuO5 by Materials Project". United States. doi:https://doi.org/10.17188/1672443. https://www.osti.gov/servlets/purl/1672443. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672443,
title = {Materials Data on SrLaAlCuO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LaSrCuAlO5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–3.01 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.84 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one AlO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.48 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one CuO5 square pyramid and corners with two equivalent AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, one La3+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, three equivalent La3+, one Cu2+, and one Al3+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1672443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}