Asking purely as someone who once studied chemistry and has a selective
memory about boron; what is the compound you're looking at? I remember
things like (BH4)- and hearing about Wade's rules, but not isolated B-
anions. Isn't boron even less electronegative than carbon? Could you get
away with neutral boron scattering factors and a multipole refinement to
see where the extra electron is going? That might involve something of a
challenge to avoid correlations with absorbtion and thermal factors...
Best wishes,
Jon
At 03:35 PM 9/5/01 +0200, you wrote:
>Thank you very much Miguel,
>But it doesn't help, because my samples are ionic and the boron has
>-1 or -2 ionic state, while in the atmdata.dat file for GSAS there
>are only x-ray scattering factors values for B.
>
>Dr. Stefano Agrestini
>
