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

Title: Materials Data on RbNi2F6 by Materials Project

Abstract

RbNi2F6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with twelve NiF6 octahedra. The corner-sharing octahedra tilt angles range from 65–69°. There are a spread of Rb–F bond distances ranging from 2.93–3.14 Å. There are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent RbF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 44–69°. There is two shorter (1.96 Å) and four longer (2.01 Å) Ni–F bond length. In the second Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent RbF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There is four shorter (1.85 Å) and two longer (1.99 Å) Ni–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two Ni+2.50+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+more » and two equivalent Ni+2.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ni+2.50+ atoms.« less

Publication Date:
Other Number(s):
mp-1179708
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; RbNi2F6; F-Ni-Rb
OSTI Identifier:
1666504
DOI:
https://doi.org/10.17188/1666504

Citation Formats

The Materials Project. Materials Data on RbNi2F6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666504.
The Materials Project. Materials Data on RbNi2F6 by Materials Project. United States. doi:https://doi.org/10.17188/1666504
The Materials Project. 2020. "Materials Data on RbNi2F6 by Materials Project". United States. doi:https://doi.org/10.17188/1666504. https://www.osti.gov/servlets/purl/1666504. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1666504,
title = {Materials Data on RbNi2F6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNi2F6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with twelve NiF6 octahedra. The corner-sharing octahedra tilt angles range from 65–69°. There are a spread of Rb–F bond distances ranging from 2.93–3.14 Å. There are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent RbF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 44–69°. There is two shorter (1.96 Å) and four longer (2.01 Å) Ni–F bond length. In the second Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent RbF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There is four shorter (1.85 Å) and two longer (1.99 Å) Ni–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two Ni+2.50+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ni+2.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ni+2.50+ atoms.},
doi = {10.17188/1666504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}