K3CrF6

K3CrF6 is a thermodynamically stable, insulating fluoride compound composed of potassium, chromium, and fluorine.

CrFK
Crystal structure of K3CrF6
Ground-state structure · Materials Project
Overview

About K3CrF6

K3CrF6 is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the transition metal fluoride family, it maintains a robust structural framework that sits securely on the convex hull, indicating significant chemical resilience under standard conditions.

This material is of interest to researchers studying inorganic fluorides due to its well-defined structural profile and clear electronic character. Its stability makes it a reliable candidate for fundamental studies into the coordination chemistry of chromium within halide-based lattices.

At a glance

Key Properties

Cross-validated computational properties for K3CrF6, aggregated across 3 databases.

Band Gap

4.34–4.39 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where K3CrF6 is used.

Inorganic materials researchCoordination chemistry studiesSolid-state fluoride synthesis
Reference

Frequently Asked Questions

Common questions about K3CrF6, answered from cross-validated data.

What is K3CrF6?

K3CrF6 is a thermodynamically stable, insulating fluoride compound composed of potassium, chromium, and fluorine.

More questions
What is K3CrF6 used for?
K3CrF6 is used in inorganic materials research, coordination chemistry studies, and solid-state fluoride synthesis.
What is the band gap of K3CrF6?
K3CrF6 has a DFT-computed band gap of 4.34–4.39 eV across 9 reported structures.
Is K3CrF6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.39 eV it is an insulator / wide-band-gap material.
Is K3CrF6 thermodynamically stable?
Yes — K3CrF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of K3CrF6 are known?
9 structures of K3CrF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does K3CrF6 contain?
K3CrF6 contains Cr, F, and K (3 elements).
Where does the data for K3CrF6 come from?
K3CrF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable, wide-gap insulator, K3CrF6 serves as a representative example of how chromium-based fluoride compounds can achieve thermodynamic equilibrium. While it occupies a distinct niche in inorganic chemistry, it provides a baseline for understanding the structural behavior of ternary alkali metal transition metal fluorides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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