RhF3

Rhodium trifluoride · Rhodium(III) fluoride

Rhodium trifluoride is a stable, semiconducting rhodium-fluorine compound used primarily in specialized catalytic and chemical synthesis applications.

Crystal structure of RhF3 (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

About Rhodium trifluoride

Rhodium trifluoride is a stable inorganic compound featuring rhodium in a trivalent state. As a semiconducting fluoride, it represents a distinct departure from the metallic nature typically associated with platinum-group alloys, highlighting the versatility of rhodium chemistry in non-metallic environments. Its position on the thermodynamic convex hull signifies high stability, making it a reliable subject for structural and chemical investigations. The compound is frequently studied for its unique electronic properties and its role in advanced fluorination processes where rhodium-based catalysts are required to facilitate specific chemical transformations. Its structural diversity is well-documented, with numerous reported configurations that underscore its importance in solid-state chemistry.

At a glance

Key Properties

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

Band Gap

0.57–0.86 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

46
3 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for RhF3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal0.860.0000-10.1535.70
P321 (No. 150)trigonal0.570.1056-10.0485.00
C2/c (No. 15)monoclinic0.000.3591-9.7943.84
Cm (No. 8)Monoclinic5.44
C2/c (No. 15)Monoclinic5.17
Pc (No. 7)Monoclinic8.22
P1 (No. 1)Triclinic4.83
Pc (No. 7)Monoclinic6.31
C2/m (No. 12)Monoclinic7.27
P-1 (No. 2)Triclinic4.57
C2/m (No. 12)Monoclinic5.73
P321 (No. 150)Trigonal5.00
Uses

Applications

Where Rhodium trifluoride is used.

Fluorinating agentCatalyst in chemical synthesisSolid-state chemical research
Reference

Frequently Asked Questions

Common questions about Rhodium trifluoride, answered from cross-validated data.

What is RhF3?

Rhodium trifluoride is a stable, semiconducting rhodium-fluorine compound used primarily in specialized catalytic and chemical synthesis applications.

More questions
What is RhF3 used for?
Rhodium trifluoride (RhF3) is used in fluorinating agent, catalyst in chemical synthesis, and solid-state chemical research.
What is the band gap of RhF3?
Rhodium trifluoride (RhF3) has a DFT-computed band gap of 0.57–0.86 eV across 46 reported structures.
Is RhF3 a metal, semiconductor, or insulator?
With a band gap up to 0.86 eV it is a semiconductor.
Is RhF3 thermodynamically stable?
Yes — Rhodium trifluoride (RhF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RhF3?
The lowest-energy reported polymorph of Rhodium trifluoride (RhF3) is trigonal symmetry, space group R-3c (No. 167).
What is the density of RhF3?
The computed density of the ground-state structure of Rhodium trifluoride (RhF3) is 5.70 g/cm³.
How many polymorphs of RhF3 are known?
46 structures of RhF3 are reported across 3 databases, spanning 15 distinct space groups.
What elements does RhF3 contain?
Rhodium trifluoride (RhF3) contains F and Rh (2 elements).
Where does the data for RhF3 come from?
RhF3 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike metallic platinum-group alloys such as LaRh or Ga2Ru, which exhibit typical intermetallic bonding, RhF3 functions as a semiconducting fluoride. While its siblings in the broader platinum-group catalyst class often serve as conductive materials for electrochemical applications, RhF3 provides a specialized chemical environment that is better suited for high-reactivity catalytic pathways where fluoride coordination is essential.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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