[RMCProfile-users] Assistance with albite structure

[wojciech.slawinski at stfc.ac.uk]

Dear José,
I can have a look at your data. I am developing RMCProfile at ISIS (UK).
Could you please send me your file by email since the files has been removed from the email you have send.
With best regards,
Wojciech Slawinski (STFC,RAL,ISIS)
Wojciech.slawinski at stfc.ac.uk

-----Original Message-----
From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Marcial, Jose
Sent: 26 January 2017 17:58
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] Assistance with albite structure

Hello everyone,

I have been working to fit neutron data obtained on albite (NaAlSi3O8) using RMCProfile. have tried various fit parameters and thusfar my best fit was obtained using the attached .dat file where the atom box was [10 10 10] and a 1 hour refinement was performed. The original Rietveld refinement was performed using GSAS1.

If you could please offer any insight that would be very helpful, please let me know if you need any more information or files used for the fitting.

The material is crystalline albite (NaAlSi3O8) but my ultimate goal will be to fit the neutron data for glass of this composition.

Thank you,

José Marcial

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