U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbCrNiF6 by Materials Project
Abstract
RbNiCrF6 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 six equivalent CrF6 octahedra and corners with six equivalent NiF6 octahedra. The corner-sharing octahedra tilt angles range from 67–69°. There are a spread of Rb–F bond distances ranging from 3.09–3.28 Å. Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with two equivalent CrF6 octahedra, corners with four equivalent NiF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There is four shorter (1.93 Å) and two longer (1.97 Å) Cr–F bond length. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra, corners with four equivalent CrF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 44–69°. There are two shorter (1.99 Å) and four longer (2.04 Å) Ni–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Cr3+ atoms. In the second F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219589
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; RbCrNiF6; Cr-F-Ni-Rb
- OSTI Identifier:
- 1715755
- DOI:
- https://doi.org/10.17188/1715755
Citation Formats
The Materials Project. Materials Data on RbCrNiF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1715755.
The Materials Project. Materials Data on RbCrNiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1715755
The Materials Project. 2020.
"Materials Data on RbCrNiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1715755. https://www.osti.gov/servlets/purl/1715755. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1715755,
title = {Materials Data on RbCrNiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNiCrF6 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 six equivalent CrF6 octahedra and corners with six equivalent NiF6 octahedra. The corner-sharing octahedra tilt angles range from 67–69°. There are a spread of Rb–F bond distances ranging from 3.09–3.28 Å. Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with two equivalent CrF6 octahedra, corners with four equivalent NiF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There is four shorter (1.93 Å) and two longer (1.97 Å) Cr–F bond length. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra, corners with four equivalent CrF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 44–69°. There are two shorter (1.99 Å) and four longer (2.04 Å) Ni–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Cr3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ni2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Cr3+, and one Ni2+ atom.},
doi = {10.17188/1715755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}