InBF4

Indium tetrafluoroborate is an inorganic salt that serves as a source of indium ions in chemical synthesis. It is primarily utilized as a catalyst or reagent in various organic transformations and specialized chemical manufacturing processes.

BFIn
Crystal structure of InBF4 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for InBF4, aggregated across 3 databases.

Band Gap

4.53 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for InBF4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic4.530.0000-9.7533.68
Amm2 (No. 38)Orthorhombic6.42
Pm (No. 6)Monoclinic4.04
Amm2 (No. 38)Orthorhombic4.75
Pnma (No. 62)
Pnma (No. 62)
Uses

Applications

Where InBF4 is used.

Organic synthesisCatalysisChemical research
Reference

Frequently Asked Questions

Common questions about InBF4, answered from cross-validated data.

What is InBF4?

Indium tetrafluoroborate is an inorganic salt that serves as a source of indium ions in chemical synthesis. It is primarily utilized as a catalyst or reagent in various organic transformations and specialized chemical manufacturing processes.

More questions
What is InBF4 used for?
InBF4 is used in organic synthesis, catalysis, and chemical research.
What is the band gap of InBF4?
InBF4 has a DFT-computed band gap of 4.53 eV across 6 reported structures.
Is InBF4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.53 eV it is an insulator / wide-band-gap material.
Is InBF4 thermodynamically stable?
Yes — InBF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InBF4?
The lowest-energy reported polymorph of InBF4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of InBF4?
The computed density of the ground-state structure of InBF4 is 3.68 g/cm³.
How many polymorphs of InBF4 are known?
6 structures of InBF4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does InBF4 contain?
InBF4 contains B, F, and In (3 elements).
Where does the data for InBF4 come from?
InBF4 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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