Dear Dr. Meilicke:
In RIETAN-94, we need to input not an occupation number (i.e., number of
atoms in the unit cell) but an occupation factor (full occupancy = 1). Did
you input in such a way?
In addition, I point out that refinement of structure parameters for light
elements such as boron in compounds containing heavy metals (in this case,
La) is fairly difficult.
I do not know the 2-theta's for the first two peaks. If they are lower
than 20 degrees, their intensities may be lowered unless the width of the
divergence slit is decreased.
********************************************
Fujio IZUMI
National Institute for Research in Inorganic Materials
1-1 Namiki, Tsukuba, Ibaraki 305, Japan
TEL: 81-298-51-3351 (ext. 378)
FAX: 81-298-52-7449
E-mail: izumi@nirim.go.jp
********************************************