Detail information of K2FeH2OF5

Structure

Basic information

Pretty formulaK2FeH2OF5
Full formulaK4Fe2H4O2F10
TagsDipotassium aquapentafluoroferrate(III)
Constituent elementsF; Fe; H; K; O;
Number of elements5
Number of sites22
Volume311.53144 Å3
Density2.63366 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a6.314 Å b6.314 Å c8.049 Å
α84.827° β95.173° γ102.161°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-107.83333 eV -4.90152 eV -2.56140 eV 3.86840 eV 10.00000 eV 0.00000 eV