Hello,
I'm trying to do a refinement on Valentinite. However, when I use the unit
cell data from the ICSD demo server
(http://barns.ill.fr/dif/icsd/index.html )I get very different relative
intensities than what I observe in my powder pattern, and that of
the ICDD pattern (11-689 generated by the NBS). It appears to be more than a
preferred orientation difference. I also used the
unit cell data in Weikoff's "Crystal Structures", and get a pattern which
matches that of the ICSD demo database.
The Lazy PulverIx data file gives this warning when calculating the pattern:
Crystal system specified on CELL card and on GROUP card are not consistent
Does anyone have unit cell data on this phase which may be more accurate in
generating a match for the ICDD pattern?
(the ICSD demo entry is from 1936). If not, would anyone happen to have the an
I/Ic value for the ICDD version of the
Valentinite pattern?
Thanks in advance.
Kerry Drake
