U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr4MnRuO8 by Materials Project
Abstract
Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two 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 2.45–2.84 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 2.47–2.84 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.97 Å) and four longer (2.04 Å) Mn–O bond lengths. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (2.02 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+, one Mn2+, and one Ru6+ atom to form distorted OSr4MnRu octahedra that share corners with fourteen OSr5Ru octahedra, edges with two equivalent OSr4MnRu octahedra, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218516
- 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; Sr4MnRuO8; Mn-O-Ru-Sr
- OSTI Identifier:
- 1680787
- DOI:
- https://doi.org/10.17188/1680787
Citation Formats
The Materials Project. Materials Data on Sr4MnRuO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680787.
The Materials Project. Materials Data on Sr4MnRuO8 by Materials Project. United States. doi:https://doi.org/10.17188/1680787
The Materials Project. 2020.
"Materials Data on Sr4MnRuO8 by Materials Project". United States. doi:https://doi.org/10.17188/1680787. https://www.osti.gov/servlets/purl/1680787. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680787,
title = {Materials Data on Sr4MnRuO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two 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 2.45–2.84 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 2.47–2.84 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.97 Å) and four longer (2.04 Å) Mn–O bond lengths. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (2.02 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+, one Mn2+, and one Ru6+ atom to form distorted OSr4MnRu octahedra that share corners with fourteen OSr5Ru octahedra, edges with two equivalent OSr4MnRu octahedra, and faces with eight OSr5Ru octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to five Sr2+ and one Ru6+ atom to form distorted OSr5Ru octahedra that share corners with seventeen OSr5Ru octahedra, edges with eight OSr5Ru octahedra, and faces with four equivalent OSr4MnRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to five Sr2+ and one Mn2+ atom to form distorted OSr5Mn octahedra that share corners with seventeen OSr5Mn octahedra, edges with eight OSr5Ru octahedra, and faces with four equivalent OSr4MnRu octahedra. The corner-sharing octahedra tilt angles range from 0–56°.},
doi = {10.17188/1680787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}