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Title: Materials Data on Pr2NiPtO6 by Materials Project

Abstract

Pr2PtNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.78 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 32–33°. 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 32–33°. 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 Pr3+, one Pt4+, and one Ni2+ atom to form distorted corner-sharing OPr2NiPt tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one Pt4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one Pt4+, and one Ni2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209764
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; Pr2NiPtO6; Ni-O-Pr-Pt
OSTI Identifier:
1740481
DOI:
https://doi.org/10.17188/1740481

Citation Formats

The Materials Project. Materials Data on Pr2NiPtO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740481.
The Materials Project. Materials Data on Pr2NiPtO6 by Materials Project. United States. doi:https://doi.org/10.17188/1740481
The Materials Project. 2020. "Materials Data on Pr2NiPtO6 by Materials Project". United States. doi:https://doi.org/10.17188/1740481. https://www.osti.gov/servlets/purl/1740481. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740481,
title = {Materials Data on Pr2NiPtO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2PtNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.78 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 32–33°. 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 32–33°. 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 Pr3+, one Pt4+, and one Ni2+ atom to form distorted corner-sharing OPr2NiPt tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one Pt4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one Pt4+, and one Ni2+ atom.},
doi = {10.17188/1740481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}