U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrNiO3 by Materials Project
Abstract
SrNiO3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.71–2.79 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–3°. There is three shorter (1.94 Å) and three longer (1.95 Å) Ni–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-762506
- 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; SrNiO3; Ni-O-Sr
- OSTI Identifier:
- 1292684
- DOI:
- https://doi.org/10.17188/1292684
Citation Formats
The Materials Project. Materials Data on SrNiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292684.
The Materials Project. Materials Data on SrNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1292684
The Materials Project. 2020.
"Materials Data on SrNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1292684. https://www.osti.gov/servlets/purl/1292684. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1292684,
title = {Materials Data on SrNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNiO3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.71–2.79 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–3°. There is three shorter (1.94 Å) and three longer (1.95 Å) Ni–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ni4+ atoms.},
doi = {10.17188/1292684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}