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Title: Materials Data on YNiO3 by Materials Project

Abstract

YNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Y–O bond lengths are 2.66 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Ni3+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1319459
Report Number(s):
mvc-15448
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; YNiO3; Ni-O-Y

Citation Formats

The Materials Project. Materials Data on YNiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319459.
The Materials Project. Materials Data on YNiO3 by Materials Project. United States. https://doi.org/10.17188/1319459
The Materials Project. 2020. "Materials Data on YNiO3 by Materials Project". United States. https://doi.org/10.17188/1319459. https://www.osti.gov/servlets/purl/1319459.
@article{osti_1319459,
title = {Materials Data on YNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Y–O bond lengths are 2.66 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Ni3+ atoms.},
doi = {10.17188/1319459},
url = {https://www.osti.gov/biblio/1319459}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}