DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd2NiRuO6 by Materials Project

Abstract

Nd2RuNiO6 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 2.34–2.76 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 32–33°. There are a spread of Ru–O bond distances ranging from 2.02–2.05 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 32–33°. There are a spread of Ni–O bond distances ranging from 2.05–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing ONd2NiRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Ru4+, and one Ni2+ atom.

Publication Date:
Other Number(s):
mp-1209990
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd2NiRuO6; Nd-Ni-O-Ru
OSTI Identifier:
1699518
DOI:
https://doi.org/10.17188/1699518

Citation Formats

The Materials Project. Materials Data on Nd2NiRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699518.
The Materials Project. Materials Data on Nd2NiRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1699518
The Materials Project. 2020. "Materials Data on Nd2NiRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1699518. https://www.osti.gov/servlets/purl/1699518. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699518,
title = {Materials Data on Nd2NiRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2RuNiO6 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 2.34–2.76 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 32–33°. There are a spread of Ru–O bond distances ranging from 2.02–2.05 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 32–33°. There are a spread of Ni–O bond distances ranging from 2.05–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing ONd2NiRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Ru4+, and one Ni2+ atom.},
doi = {10.17188/1699518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}