Structure

Basic information

Pretty formulaFeH2Cl5O3
Full formulaFe4H8Cl20O12
TagsOxonium aquapentachloroferrate(III)
Constituent elementsCl; Fe; H; O;
Number of elements4
Number of sites44
Volume875.97346 Å3
Density2.14682 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a7.123 Å b8.509 Å c14.453 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-144.40489 eV -3.28193 eV -0.44771 eV 0.00000 eV 39.13925 eV 0.52684 eV