Re: using Zero

2017-03-29 Thread GREGORKIEWITZ MICHAEL
of course you should, Ana! The coordinate of the origin depends on goniometer alignment which may change from one diffraction to the next although, in my experience, deviations from 0 are mostly the same. What should be fixed is the unit cell parameter of Si, but there is considerable discus

Re: Refinement of birnessite type layered manganese oxides

2017-01-17 Thread GREGORKIEWITZ MICHAEL
dear Nayda, a bit late, but may be still useful for you: we worked on Rietveld refinement of a birnessite impurity considering various stacking types - without much success, but in our ms you can find references to different models, and a quite surprising result for our "birnessite" sample.

Re: R: Re: synchrotron beamline info

2015-07-29 Thread GREGORKIEWITZ MICHAEL
Jon On 29/07/2015 14:10, Natale Perchiazzi wrote: Hola Miguel, A Gandolfi like setup would be definitely easier. I guess you suggest alternatevely to crush and dilute the material in a matrix? ! Cheers Natale Inviato da Yahoo Mail su Android [1] --------- DA:"GREGORKIEWIT

Re: synchrotron beamline info

2015-07-29 Thread GREGORKIEWITZ MICHAEL
Dear Natale, do you think about a Gandolfi like setup? Or can the fragments be crushed? best Miguel --- michele gregorkiewitz Dip Scienze Fisiche, della Terra e dell'Ambiente Università di Siena via Laterina 8, I-53100 Siena gre...@unisi.it, +39'0577'233810 Il 2015-07-29 11:33 Natale Perc

Re: Unit cell accessible volume

2015-06-18 Thread GREGORKIEWITZ MICHAEL
dear Othman, you might try a program called "buits" which allows, if I remember well, to define the radius of a "probe" used to fill up empty space with an irregular surface. The reference is Jordi Rius. J Appl Cryst (1991) 24, 187-189. We used this program to determine void volumes in ioni

Re: regress in crystallographic good practices and knowledge

2015-05-08 Thread GREGORKIEWITZ MICHAEL
what's going on, Alan? Are you getting older and disappointed through attachments and other misachievements of life? I really don't hope so, because, for me, I eagerly follow the rietveld list and I think that many more people actually does so! chears Miguel --- michele gregorkiewitz Dip Sc