Structure

Basic information

Pretty formulaCrF3
Full formulaCr2F6
TagsChromium fluoride
Constituent elementsCr; F;
Number of elements2
Number of sites8
Volume101.79067 Å3
Density3.55601 g/cm3
Source Materials Project

Space group

Spacegroup Number167
Hermann MauguinR-3c
Hall-R 3 2"c
Crystal SystemHexagonal

Lattice Parameters

a5.381 Å b5.381 Å c5.381 Å
α56.712° β56.712° γ56.712°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-48.07371 eV -6.00921 eV -3.03741 eV 2.83800 eV 6.00000 eV 0.00000 eV