I recently encountered this with Y2O3.  The literature results from single
crystal measurements show a lattice parameter of 10.604 Å while powder
diffraction results show 10.607 Å.  I am using Y2O3 to calibrate the
twotheta response of my cps-120.

Originally I thought I should use 10.604 Å to calculate my peak positions
because I thought single crystal would be more, and i hesitate before i say
this, accurate?  reliable?  If I calibrate my equipment with the single
crystal values, does this imply that I will calculate values in line with
single crystal measurements from subsequent powder diffraction measurements
with that calibration?

Can someone explain why single crystal experiments would generate different
cell parameters than powder diffraction?  Or maybe offer a reference that
talks about it?

thanks,

chuck

>Do note the differences that occur between cell parameters
>determined form single crystal and powder diffraction data.
>
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Charles Witham

Graduate Research Assistant, Materials Science
California Institute of Technology
Mail Stop 138-78                       [EMAIL PROTECTED]
Pasadena, CA  91125                    (626) 395-3627
                                        fax  795-6132
                               JPL lab (818) 393-4209

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