Structure

Basic information

Pretty formulaNa2TiF6
Full formulaNa6Ti3F18
TagsDisodium hexafluorotitanate
Constituent elementsF; Na; Ti;
Number of elements3
Number of sites27
Volume394.23401 Å3
Density2.62627 g/cm3
Source Materials Project

Space group

Spacegroup Number150
Hermann MauguinP321
HallP 3 2"
Crystal SystemHexagonal

Lattice Parameters

a5.238 Å b9.322 Å c9.324 Å
α120.005° β90.000° γ89.951°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-152.13826 eV -5.63475 eV -3.51840 eV 4.74680 eV 0.00000 eV 0.00000 eV