Materials Data on Sm2NiRuO6 by Materials Project
Abstract
Sm2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of Ru–O bond distances ranging from 2.01–2.05 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are two shorter (2.06 Å) and four longer (2.10 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OSm2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Ni2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208962
- 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; Sm2NiRuO6; Ni-O-Ru-Sm
- OSTI Identifier:
- 1706968
- DOI:
- https://doi.org/10.17188/1706968
Citation Formats
The Materials Project. Materials Data on Sm2NiRuO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706968.
The Materials Project. Materials Data on Sm2NiRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1706968
The Materials Project. 2020.
"Materials Data on Sm2NiRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1706968. https://www.osti.gov/servlets/purl/1706968. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706968,
title = {Materials Data on Sm2NiRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of Ru–O bond distances ranging from 2.01–2.05 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are two shorter (2.06 Å) and four longer (2.10 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OSm2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Ni2+ atom.},
doi = {10.17188/1706968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}