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Title: Materials Data on Sr3LaZnRuO8 by Materials Project

Abstract

Sr3LaZnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.38–2.85 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.86 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.83 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.25–2.83 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Ru–O bond distances ranging from 1.94–2.07 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Zn–O bondmore » distances ranging from 2.04–2.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+, one La3+, one Ru5+, and one Zn2+ atom to form a mixture of distorted face, edge, and corner-sharing OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 2–55°. In the second O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Ru5+ atom to form distorted OSr3La2Ru octahedra that share corners with seventeen OSr3La2Ru octahedra, edges with eight OSr3La2Zn octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Zn2+ atom to form distorted OSr3La2Zn octahedra that share corners with seventeen OSr3La2Zn octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O2- site, O2- is bonded to four Sr2+, one La3+, and one Zn2+ atom to form distorted OSr4LaZn octahedra that share corners with seventeen OSr3La2Zn octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to five Sr2+ and one Ru5+ atom to form distorted OSr5Ru octahedra that share corners with seventeen OSr3La2Ru octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–55°.« less

Publication Date:
Other Number(s):
mp-1218437
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; Sr3LaZnRuO8; La-O-Ru-Sr-Zn
OSTI Identifier:
1652312
DOI:
https://doi.org/10.17188/1652312

Citation Formats

The Materials Project. Materials Data on Sr3LaZnRuO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652312.
The Materials Project. Materials Data on Sr3LaZnRuO8 by Materials Project. United States. doi:https://doi.org/10.17188/1652312
The Materials Project. 2020. "Materials Data on Sr3LaZnRuO8 by Materials Project". United States. doi:https://doi.org/10.17188/1652312. https://www.osti.gov/servlets/purl/1652312. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652312,
title = {Materials Data on Sr3LaZnRuO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3LaZnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.38–2.85 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.86 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.83 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.25–2.83 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Ru–O bond distances ranging from 1.94–2.07 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Zn–O bond distances ranging from 2.04–2.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+, one La3+, one Ru5+, and one Zn2+ atom to form a mixture of distorted face, edge, and corner-sharing OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 2–55°. In the second O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Ru5+ atom to form distorted OSr3La2Ru octahedra that share corners with seventeen OSr3La2Ru octahedra, edges with eight OSr3La2Zn octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent La3+, and one Zn2+ atom to form distorted OSr3La2Zn octahedra that share corners with seventeen OSr3La2Zn octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O2- site, O2- is bonded to four Sr2+, one La3+, and one Zn2+ atom to form distorted OSr4LaZn octahedra that share corners with seventeen OSr3La2Zn octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to five Sr2+ and one Ru5+ atom to form distorted OSr5Ru octahedra that share corners with seventeen OSr3La2Ru octahedra, edges with eight OSr3La2Ru octahedra, and faces with four equivalent OSr3LaZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},
doi = {10.17188/1652312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}