Structure

Basic information

Pretty formulaFeClO
Full formulaFe2Cl2O2
TagsIron oxide chloride;
Iron(III) oxide chloride
Constituent elementsCl; Fe; O;
Number of elements3
Number of sites6
Volume108.29234 Å3
Density3.29057 g/cm3
Source Materials Project

Space group

Spacegroup Number59
Hermann MauguinPmmn
HallP 2 2ab -1ab
Crystal SystemOrthorhombic

Lattice Parameters

a3.305 Å b3.926 Å c8.345 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-32.17061 eV -5.36177 eV -1.62340 eV 1.94150 eV 10.00000 eV 0.00000 eV