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Title: Materials Data on Y2NiRuO6 by Materials Project

Abstract

Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.76 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 37–40°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ru–O bond lengths. 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 37–40°. There are a spread of Ni–O bond distances ranging from 2.06–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom.

Publication Date:
Other Number(s):
mp-1207752
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; Y2NiRuO6; Ni-O-Ru-Y
OSTI Identifier:
1707359
DOI:
https://doi.org/10.17188/1707359

Citation Formats

The Materials Project. Materials Data on Y2NiRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707359.
The Materials Project. Materials Data on Y2NiRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1707359
The Materials Project. 2020. "Materials Data on Y2NiRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1707359. https://www.osti.gov/servlets/purl/1707359. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1707359,
title = {Materials Data on Y2NiRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.76 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 37–40°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ru–O bond lengths. 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 37–40°. There are a spread of Ni–O bond distances ranging from 2.06–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom.},
doi = {10.17188/1707359},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}