[Wien] (no subject)

[Lyudmila Dobysheva]

02.12.2015 11:20, Dr. K. C. Bhamu wrote:
> The Sc atom should be bonded only with O but when I see by repetition of
> unit cell in X and Y-direction I saw that Sc atom is also bonded by
> surrounding Sc. So it make me in doubt that whether the structure is
> fine or there is any mistake in strut file.

When you start working with unknown compound you are to find structural 
parameters, and, among others, there should be information on 
environment of all atoms and distances to neighbors. You should compare 
this with the output of program nn.
The environments should be the same, the distances should be rather close.

Best wishes
   Lyudmila Dobysheva
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