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Re: [sdpd] Digest Number 115
Thanks very much.
I am still waiting for your reply.
.Zia Khan
-----Original Message-----
From: sdpd...@yahoogroups.com <sdpd...@yahoogroups.com>
To: sdpd...@yahoogroups.com <sdpd...@yahoogroups.com>
Date: Friday, February 09, 2001 12:32 AM
Subject: [sdpd] Digest Number 115
>
>There are 4 messages in this issue.
>
>Topics in this digest:
>
> 1. Re: crsytallographic studies of some carbohydrates
> From: Armel Le Bail <armel...@fluo.univ-lemans.fr>
> 2. Re: crsytallographic studies of some carbohydrates
> From: Steve Maginn <maginn...@ccdc.cam.ac.uk>
> 3. Aluminized mylar
> From: "Grigoris Beis" <bgreg...@iesl.forth.gr>
> 4. manganite-vacancies
> From: Guilhem DEZANNEAU <guilhemdezanneau...@yahoo.fr>
>
>
>________________________________________________________________________
>________________________________________________________________________
>
>Message: 1
> Date: Wed, 07 Feb 2001 15:14:07 +0100
> From: Armel Le Bail <armel...@fluo.univ-lemans.fr>
>Subject: Re: crsytallographic studies of some carbohydrates
>
>Steve Maginn wrote :
>...
>>The information on the particular compounds you mention will be sent to
you.
>...
>>For powder diffraction information (peak heights, d-spacings etc) I
imagine
>>the ICDD's Powder Diffraction File will have all the necessary
information.
>>
>>I hope this is helpful.
>
>Dear Steve, yes this is certainly helpful, and I think that
>we can applause to your initiative ! This is a door open to
>new horizons for scientists in countries without access to the
>Cambridge Structural Database ! However, you take the risk
>of some overload, if this is known...
>
>Can we expect the same from ICDD ?
>
>Best regards,
>
>Armel Le Bail
>http://www.cristal.org/course/
>
>
>
>
>________________________________________________________________________
>________________________________________________________________________
>
>Message: 2
> Date: Wed, 07 Feb 2001 14:40:07 +0000
> From: Steve Maginn <maginn...@ccdc.cam.ac.uk>
>Subject: Re: crsytallographic studies of some carbohydrates
>
>At 15:14 07/02/01 +0100, you wrote:
>
>>>The information on the particular compounds you mention will be sent to
>you.
>>...
>>>For powder diffraction information (peak heights, d-spacings etc) I
imagine
>>>the ICDD's Powder Diffraction File will have all the necessary
information.
>>>
>>>I hope this is helpful.
>>
>>Dear Steve, yes this is certainly helpful, and I think that
>>we can applause to your initiative ! This is a door open to
>>new horizons for scientists in countries without access to the
>>Cambridge Structural Database ! However, you take the risk
>>of some overload, if this is known...
>>
>
>Dear Armel,
>
>Thankyou for the plaudits, but I cannot claim credit for any such
initiative.
>
>As part of its remit, CCDC will respond in this way to any such request for
>structural information on a small number of compounds from any academic
>scientist, wherever they work in the world. This has always been and
>remains our policy. This information is public domain anyway, so how could
>we refuse ? We get about 2 - 3 such requests every week, in fact, normally
>directed straight to us.
>
>Problems only arise with this sort of request when intelligent searches of
>the database are required. This is why we may be limited in what we can do
>as far as "similar compounds" are concerned that Zia Khan refers to. Then
>we recommend that people subscribe. We would also recommend this if the
>same person keeps asking for small numbers of compounds ! (This has not
>happened during my time here !) Of course, we all need to pay our mortgages
>too !
>
>Best regards,
>
>Steve Maginn
>
>
>
>
>=====================================================
>
>Dr. Stephen J. Maginn,
>Support and Marketing Manager,
>Cambridge Crystallographic Data Centre (CCDC),
>12 Union Road,
>Cambridge CB2 1EZ, UK
>
>phone +44 (0)1223 762534
>FAX +44 (0)1223 331116
>e-mail maginn...@ccdc.cam.ac.uk
>
>http://www.ccdc.cam.ac.uk
>
>=====================================================
>
>
>
>
>________________________________________________________________________
>________________________________________________________________________
>
>Message: 3
> Date: Wed, 7 Feb 2001 18:41:04 +0200
> From: "Grigoris Beis" <bgreg...@iesl.forth.gr>
>Subject: Aluminized mylar
>
>Hello everybody,
>I'm looking for some information regarding the chemical composition and if
possible, the reflections (or an xray pattern) of aluminized mylar. I'm
performing some xrd experiments and I would like to extract the intense
mylar reflections.
>Thank you in advance,
>Gregory
>
>
>[This message contained attachments]
>
>
>
>________________________________________________________________________
>________________________________________________________________________
>
>Message: 4
> Date: Thu, 8 Feb 2001 09:37:31 +0100 (CET)
> From: Guilhem DEZANNEAU <guilhemdezanneau...@yahoo.fr>
>Subject: manganite-vacancies
>
>i study manganite powders:these perovskite like
>materials present the
>peculiarity of presenting vacancies on both A and B
>perovskite sites.
>
>
>Since Debye-waller factors and occupancies are
>strongly coupled it is impossible to refine both types
>of parameters. I then decided to fix occupancies at
>values in a given range (for example betwen 0.9 and 1
>for A and B site) and then refined the B factors on
>each site. I obtained a map of the Chi2 values as a
>function of A and B site occupancies (it looks like a
>valley). from this map, i can define a minimum line
>which may correspond to the most probable B-site
>occupancy for a given A-site occupancy.
>
>Since i also have titration measurements, i can obtain
>the lanthanum and manganese site occupancies that
>agree better with titration results and that
>correspond to a minimum in the Chi2 map.
>
>The question is:
>is this reasonment OK ? if not why ?
>
>Thanks a lot
>
>
>Guilhem DEZANNEAU
>LMGP, domaine universitaire
>BP46, 38402 SAINT MARTIN D'HERES
>
>___________________________________________________________
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>
>________________________________________________________________________
>________________________________________________________________________
>
>
>
>
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