I am trying to calculate molar volume of certain crystal lattices to be used for crystal growth kinetics calculations. The information I have is the crystal volume & crystal lattices. For example the crystal $\ce{Cu41Sn11}$ has the structure cF416 and the information taken from a certain crystal database is as follows:
Atom Formula: Cu41.5Sn10.5
Cell volume: 5.81258 nm3
Cell density (calculated): 8.85 Mg m-3
Now I have tried 2 approaches to it.
- First was the wikipedia formula for molar volumes
Vm= NAVcell / Z
molar volume = (Avorgados number x crystal cell volume) / number of formula units in a crystal
This gives the following output for the above mentioned crystal
Molar Volume = 6.022 x 1023 x 5.81258 x 10 -27 / 51
Molar volume = 6.731 x 10 -5
- The second one is i figured out the formula
Molar volume = Molar Mass of crystal / Cell Density
So in this case:
Molar mass of crystal $\ce{Cu41Sn11}$ = 41 x 63.546 + 11 x 118.71 = 3911.2 gms (3.9112 Kg)
Molar Volume = 3.9112 / 8850 = 4.41944 x 10 -4
These two approaches yield two different results, so i wanted to make sure where am i making the mistake?
In case you're interested in the crystal database, here it is: