*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
The powder diffraction file contains these index cards. Your library/friendly inorganic chemist/material scientst probably subscribes. http://www.icdd.com/ Programs like lazy pulverix can calculate the patterns given the atom positions, cell and SG. I have a PC version of that program if someone wants it. br -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Petrus H Zwart Sent: Thursday, October 05, 2006 6:22 PM To: Shane Atwell Cc: ccp4bb@dl.ac.uk Subject: Re: [ccp4bb]: Salt crystals *** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** >From my student days I remember thick books with 2 theta positions of the 3 (or 5 even) strongest lines and their relative intensities for lots of salts. If you generate artificial powder data (xprep or so) you should be able to build your own library from CSD data. HTH Peter ----- Original Message ----- From: Shane Atwell <[EMAIL PROTECTED]> Date: Thursday, October 5, 2006 5:30 pm Subject: [ccp4bb]: Salt crystals To: ccp4bb@dl.ac.uk > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > Is there a good reference for determining particular salts from powder > diffraction? I have what I'm pretty sure are magnesium phosphate > crystals and have some single crystal and powder diffraction images. > I'd like to confirm that they are magnesium phosphate. We also see > acetate and what must be sulfate crystals from time to time, so it'b > be nice to have a general reference. > > Shane >
