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Title: Materials Data on Sr2La2CuRuO8 by Materials Project

Abstract

Sr2La2RuCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm 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 2.36–2.77 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.78 Å. Ru5+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.16 Å) Ru–O bond lengths. Cu1+ is bonded to six O2- atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.19 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ru5+ atom to form distorted OSr4LaRu octahedra that share corners with seventeen OLa4Cu2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and onemore » Cu1+ atom to form distorted OSrLa4Cu octahedra that share corners with seventeen OLa4Cu2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OLa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to four equivalent La3+ and two equivalent Cu1+ atoms to form a mixture of distorted edge, face, and corner-sharing OLa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru5+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218695
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; Sr2La2CuRuO8; Cu-La-O-Ru-Sr
OSTI Identifier:
1744120
DOI:
https://doi.org/10.17188/1744120

Citation Formats

The Materials Project. Materials Data on Sr2La2CuRuO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744120.
The Materials Project. Materials Data on Sr2La2CuRuO8 by Materials Project. United States. doi:https://doi.org/10.17188/1744120
The Materials Project. 2020. "Materials Data on Sr2La2CuRuO8 by Materials Project". United States. doi:https://doi.org/10.17188/1744120. https://www.osti.gov/servlets/purl/1744120. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744120,
title = {Materials Data on Sr2La2CuRuO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2La2RuCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm 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 2.36–2.77 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.78 Å. Ru5+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.16 Å) Ru–O bond lengths. Cu1+ is bonded to six O2- atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.19 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ru5+ atom to form distorted OSr4LaRu octahedra that share corners with seventeen OLa4Cu2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Cu1+ atom to form distorted OSrLa4Cu octahedra that share corners with seventeen OLa4Cu2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OLa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to four equivalent La3+ and two equivalent Cu1+ atoms to form a mixture of distorted edge, face, and corner-sharing OLa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru5+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.},
doi = {10.17188/1744120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}