Structure

Basic information

Pretty formulaMnTlH2OF4
Full formulaMn4Tl4H8O4F16
TagsThallium tetrafluoromanganate(III) hydrate
Constituent elementsF; H; Mn; O; Tl;
Number of elements5
Number of sites36
Volume487.35594 Å3
Density4.81552 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.697 Å b7.697 Å c10.754 Å
α77.994° β102.006° γ128.165°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-183.80036 eV -5.10557 eV -2.19000 eV 1.66290 eV 16.00000 eV 0.00000 eV