U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3NdCuRuO8 by Materials Project
Abstract
Sr3NdCuRuO8 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 2.42–2.81 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 2.37–2.81 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 2.48–2.80 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.81 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Ru–O bond distances ranging from 1.94–2.10 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Cu–O bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218490
- 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; Sr3NdCuRuO8; Cu-Nd-O-Ru-Sr
- OSTI Identifier:
- 1732381
- DOI:
- https://doi.org/10.17188/1732381
Citation Formats
The Materials Project. Materials Data on Sr3NdCuRuO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732381.
The Materials Project. Materials Data on Sr3NdCuRuO8 by Materials Project. United States. doi:https://doi.org/10.17188/1732381
The Materials Project. 2020.
"Materials Data on Sr3NdCuRuO8 by Materials Project". United States. doi:https://doi.org/10.17188/1732381. https://www.osti.gov/servlets/purl/1732381. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1732381,
title = {Materials Data on Sr3NdCuRuO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3NdCuRuO8 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 2.42–2.81 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 2.37–2.81 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 2.48–2.80 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.81 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Ru–O bond distances ranging from 1.94–2.10 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Cu–O bond distances ranging from 2.00–2.17 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+, one Nd3+, one Ru5+, and one Cu2+ atom to form a mixture of distorted edge, face, and corner-sharing OSr3NdCuRu octahedra. The corner-sharing octahedra tilt angles range from 8–56°. In the second O2- site, O2- is bonded to three Sr2+, two equivalent Nd3+, and one Cu2+ atom to form distorted OSr3Nd2Cu octahedra that share corners with seventeen OSr3Nd2Cu octahedra, edges with eight OSr3Nd2Ru octahedra, and faces with four equivalent OSr3NdCuRu octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to three Sr2+, two equivalent Nd3+, and one Ru5+ atom to form distorted OSr3Nd2Ru octahedra that share corners with seventeen OSr3Nd2Ru octahedra, edges with eight OSr3Nd2Cu octahedra, and faces with four equivalent OSr3NdCuRu octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the fourth O2- site, O2- is bonded to five Sr2+ and one Ru5+ atom to form distorted OSr5Ru octahedra that share corners with seventeen OSr3Nd2Ru octahedra, edges with eight OSr3Nd2Cu octahedra, and faces with four equivalent OSr3NdCuRu octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O2- site, O2- is bonded to four Sr2+, one Nd3+, and one Cu2+ atom to form distorted OSr4NdCu octahedra that share corners with seventeen OSr3Nd2Cu octahedra, edges with eight OSr3Nd2Cu octahedra, and faces with four equivalent OSr3NdCuRu octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},
doi = {10.17188/1732381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}