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Title: Materials Data on Re2NiO8 by Materials Project

Abstract

Ni(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Ni(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Ni–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Ni2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32311
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; Re2NiO8; Ni-O-Re
OSTI Identifier:
1206140
DOI:
10.17188/1206140

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re2NiO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206140.
Persson, Kristin, & Project, Materials. Materials Data on Re2NiO8 by Materials Project. United States. doi:10.17188/1206140.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re2NiO8 by Materials Project". United States. doi:10.17188/1206140. https://www.osti.gov/servlets/purl/1206140. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206140,
title = {Materials Data on Re2NiO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ni(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Ni(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Ni–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Ni2+ atom.},
doi = {10.17188/1206140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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