Building Boron Carbide in Materials Studio: Is It Possible?

[gungunlin]

does anyone know the structure of boron carbide (B4C)? i need boron carbide's lattice parameter and the atom positions in the unit cell, as i want to build the structure by materials studio.
does anybody know how to get it? thank you very much!

 

[Astronuc]

Try - Atomic Structure and Vibrational Properties of Icosahedral B₄C Boron Carbide
http://people.sissa.it/~dalcorso/publications/PRL-83-3230-1999.pdf

 

[gungunlin]

Try - Atomic Structure and Vibrational Properties of Icosahedral B₄C Boron Carbide
http://people.sissa.it/~dalcorso/publications/PRL-83-3230-1999.pdf

this literature doesnot give the exact positions of atoms, e.g.the coordinates of atoms in the cell. but regardless, thanks for your kind reply.

 

[scupydog]

this literature doesnot give the exact positions of atoms, e.g.the coordinates of atoms in the cell. but regardless, thanks for your kind reply.

I have heard that the chemical structure of boron carbide is unknown

 

[jrzedncr]

Gungunlin,

Were you ever able to make boron carbide in Materials Studio? I am about to do that. Thank you.