U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2NiPtO6 by Materials Project
Abstract
Nd2PtNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.77 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are two shorter (2.05 Å) and four longer (2.06 Å) Pt–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. 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 Nd3+, one Pt4+, and one Ni2+ atom to form distorted corner-sharing ONd2NiPt trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Ni2+ atom.
- Publication Date:
- Other Number(s):
- mp-1209936
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nd-Ni-O-Pt; Nd2NiPtO6; crystal structure
- OSTI Identifier:
- 1719884
- DOI:
- https://doi.org/10.17188/1719884
Citation Formats
Materials Data on Nd2NiPtO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719884.
Materials Data on Nd2NiPtO6 by Materials Project. United States. doi:https://doi.org/10.17188/1719884
2020.
"Materials Data on Nd2NiPtO6 by Materials Project". United States. doi:https://doi.org/10.17188/1719884. https://www.osti.gov/servlets/purl/1719884. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719884,
title = {Materials Data on Nd2NiPtO6 by Materials Project},
abstractNote = {Nd2PtNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.77 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are two shorter (2.05 Å) and four longer (2.06 Å) Pt–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. 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 Nd3+, one Pt4+, and one Ni2+ atom to form distorted corner-sharing ONd2NiPt trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Pt4+, and one Ni2+ atom.},
doi = {10.17188/1719884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}