skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrCeAlO4 by Materials Project

Abstract

SrCeAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm 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 2.45–2.68 Å. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.67 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Al–O bond distances ranging from 1.88–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ce3+, and two equivalent Al3+ atoms to form distorted OSr2Ce2Al2 octahedra that share corners with fourteen OSrCe4Al octahedra, edges with two equivalent OSr2Ce2Al2 octahedra, and faces with eight OSrCe4Al octahedra. The corner-sharing octahedra tilt angles range from 6–55°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Ce3+, and one Al3+ atom to form distorted OSrCe4Al octahedra that share corners with seventeen OSrCe4Al octahedra, edges with eight OSrCe4Al octahedra, and faces with four equivalent OSr2Ce2Al2 octahedra. The corner-sharing octahedra tilt angles range frommore » 0–55°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ce3+, and one Al3+ atom to form distorted OSr4CeAl octahedra that share corners with seventeen OSrCe4Al octahedra, edges with eight OSrCe4Al octahedra, and faces with four equivalent OSr2Ce2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.« less

Publication Date:
Other Number(s):
mp-1218323
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; SrCeAlO4; Al-Ce-O-Sr
OSTI Identifier:
1679531
DOI:
https://doi.org/10.17188/1679531

Citation Formats

The Materials Project. Materials Data on SrCeAlO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679531.
The Materials Project. Materials Data on SrCeAlO4 by Materials Project. United States. doi:https://doi.org/10.17188/1679531
The Materials Project. 2020. "Materials Data on SrCeAlO4 by Materials Project". United States. doi:https://doi.org/10.17188/1679531. https://www.osti.gov/servlets/purl/1679531. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679531,
title = {Materials Data on SrCeAlO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCeAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm 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 2.45–2.68 Å. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.67 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Al–O bond distances ranging from 1.88–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ce3+, and two equivalent Al3+ atoms to form distorted OSr2Ce2Al2 octahedra that share corners with fourteen OSrCe4Al octahedra, edges with two equivalent OSr2Ce2Al2 octahedra, and faces with eight OSrCe4Al octahedra. The corner-sharing octahedra tilt angles range from 6–55°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Ce3+, and one Al3+ atom to form distorted OSrCe4Al octahedra that share corners with seventeen OSrCe4Al octahedra, edges with eight OSrCe4Al octahedra, and faces with four equivalent OSr2Ce2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ce3+, and one Al3+ atom to form distorted OSr4CeAl octahedra that share corners with seventeen OSrCe4Al octahedra, edges with eight OSrCe4Al octahedra, and faces with four equivalent OSr2Ce2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},
doi = {10.17188/1679531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}