RbNi2F6

RbNi2F6 is a semiconducting fluoride compound that is considered a viable candidate for laboratory synthesis.

FNiRb
Crystal structure of RbNi2F6 (cubic, Fd-3m (No. 227))
Ground-state structure · Materials Project
Overview

About RbNi2F6

RbNi2F6 is a complex fluoride compound characterized by its semiconducting electronic nature. Its composition, involving rubidium and nickel, places it within a specialized group of metal fluorides that are frequently investigated for their unique structural arrangements.

As a near-hull material, this compound is considered a promising candidate for experimental synthesis. The existence of multiple reported structures across databases underscores its significance as a subject of ongoing crystallographic and materials science study.

At a glance

Key Properties

Cross-validated computational properties for RbNi2F6, aggregated across 3 databases.

Band Gap

0.17 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

7
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for RbNi2F6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3m (No. 227)cubic0.000.0184-5.0054.19
Imma (No. 74)orthorhombic0.170.0202-5.0033.99
Fd-3m (No. 227)
Fd-3m (No. 227)Cubic3.96
Fd-3m (No. 227)Cubic4.23
Fd-3m (No. 227)Cubic4.17
R-3m (No. 166)
Uses

Applications

Where RbNi2F6 is used.

Materials science researchSolid-state chemistry studiesCrystallographic structural analysis
Reference

Frequently Asked Questions

Common questions about RbNi2F6, answered from cross-validated data.

What is RbNi2F6?

RbNi2F6 is a semiconducting fluoride compound that is considered a viable candidate for laboratory synthesis.

More questions
What is RbNi2F6 used for?
RbNi2F6 is used in materials science research, solid-state chemistry studies, and crystallographic structural analysis.
What is the band gap of RbNi2F6?
RbNi2F6 has a DFT-computed band gap of 0.17 eV across 7 reported structures.
Is RbNi2F6 a metal, semiconductor, or insulator?
With a band gap up to 0.17 eV it is a semiconductor.
Is RbNi2F6 thermodynamically stable?
RbNi2F6 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
What is the crystal structure of RbNi2F6?
The lowest-energy reported polymorph of RbNi2F6 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of RbNi2F6?
The computed density of the ground-state structure of RbNi2F6 is 4.19 g/cm³.
How many polymorphs of RbNi2F6 are known?
7 structures of RbNi2F6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does RbNi2F6 contain?
RbNi2F6 contains F, Ni, and Rb (3 elements).
Where does the data for RbNi2F6 come from?
RbNi2F6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a member of the broader class of transition metal fluorides, RbNi2F6 serves as a structural reference point for understanding how alkali metals influence the coordination environments of nickel in fluorine-based lattices.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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