[Ifeffit] Ifeffit Digest, Vol 81, Issue 25

[Jasquelin Pena]

Scott,

.cif files for many minerals can be downloaded from the AMCSD:

http://rruff.geo.arizona.edu/AMS/amcsd.php

Jasquelin


On Mon, 30 Nov 2009, ifeffit-request at millenia.cars.aps.anl.gov wrote:

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> Today's Topics:
>
>   1. Re: Request a .cif file for alpha & beta Nickel hydroxide
>      (Scott Wicker (Student))
>   2. Re: Request a .cif file for alpha & beta Nickel hydroxide
>      (Bruce Ravel)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sun, 29 Nov 2009 12:06:19 -0600
> From: "Scott Wicker (Student)" <scott_wicker_00 at subr.edu>
> To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Request a .cif file for alpha & beta Nickel
> 	hydroxide
> Message-ID:
> 	<301F55994159DB4682AA882A772707E1013EF192 at primary14.subr.edu>
> Content-Type: text/plain; charset="iso-8859-1"
>
> I would like to request a .cif file for the alpha & beta Nickel hydroxide. If someone also have .cif files for Cobalt hydroxide this will be greatly appreciated. Is there a single crystal data base for .cif files?
>
> thanks,
>
> Scott A. Wicker Sr.
> Ph.d Graduate Student
> Environmental Toxicology
> Southern University A & M
> Baton Rouge, LA 70813
> School: scott_wicker_00 at cxs.subr.edu
> Home: swicker at cox.net
>
>
>
> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Frenkel, Anatoly
> Sent: Fri 11/27/2009 1:12 PM
> To: jswashin at ncsu.edu; XAFS Analysis using Ifeffit
> Subject: RE: [Ifeffit] Bond length determination EXAFS vs XRD
>
> XRD measures interplanar spacing, and XAFS - interatomic distances, and they are not the same if disorder is present. Look for articles by Boyce and Mikkelsen, Jr., in Phys Rev B in 1980's who were the first discussing these concepts in GaAs-InAs semiconductors and also KBr-RbBr ionic salts.
> They showed that the average structure ascertained by diffraction differs from the local structure measured by EXAFS.
> Modern day high energy XRD/PDF measures interatomic distances more accurately than Bragg peak analysis can do but how accurately it agrees with EXAFS is still subject of debates.
> Anatoly
>
>
>  _____
>
> From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Joseph Washington
> Sent: Fri 11/27/2009 2:08 PM
> To: XAFS Analysis using Ifeffit
> Subject: [Ifeffit] Bond length determination EXAFS vs XRD
>
>
>
> Happy Thanksgiving All!
>
> Can someone, send me some references which explains some of the reasons
> why the bond lengths fitted in EXAFS would be different from that fitted
> in XRD (assuming that we implemented the crystal model predicted by XRD
> correctly in Artemis)?
>
> I would really appreciate this!
>
> Sincerely
> --
> Joseph Washington
> Research Assistant
> Department of Physics
> North Carolina State University
> 431 Riddick Hall
> Raleigh, NC 27695-8202
> email: jswashin at ncsu.edu
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> ------------------------------
>
> Message: 2
> Date: Mon, 30 Nov 2009 09:45:29 -0500
> From: Bruce Ravel <bravel at bnl.gov>
> To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Request a .cif file for alpha & beta Nickel
> 	hydroxide
> Message-ID: <200911300945.29104.bravel at bnl.gov>
> Content-Type: Text/Plain;  charset="utf-8"
>
> On Sunday 29 November 2009 01:06:19 pm Scott Wicker (Student) wrote:
>> I would like to request a .cif file for the alpha & beta Nickel hydroxide.
>> If someone also have .cif files for Cobalt hydroxide this will be greatly
>> appreciated. Is there a single crystal data base for .cif files?
>
>
> See the second question at
>
>  http://cars9.uchicago.edu/ifeffit/FAQ/RunningFeff
>
> B
>
> -- 
>
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
>
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
>
> My homepage:    http://xafs.org/BruceRavel
> EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
>
>
>
> ------------------------------
>
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> End of Ifeffit Digest, Vol 81, Issue 25
> ***************************************
>