High and low spin state options are not in the standard tables. I suggest that you contact David Brown at McMaster to see what has been done. He was very involved in the development of the Bond Valence technique. His details are at :
http://www.physics.mcmaster.ca/cgi-bin/display.pl?page=sw://lists/Minibio_2004.php4?ID=4
Andrew
On 30 Sep 2004, at 17:12, Whitfield, Pamela wrote:
Hiya all----------------------------------------------------------------------
�
I seem to be unfortunate in my choice of materials.� I've been looking at the bond lengths and bond valence for some battery materials that contain some transition metals in low spin states.� From what I understand, all of the bond valence coefficients that I have are for high spin states.� Does anyone know of any source for low spin TM-O bond valence coefficients?
�
Thanks
�
Pam
Dr Pamela Whitfield CChem MRSC
Energy Materials Group
Institute for Chemical Process and Environmental Technology
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National Research Council Canada
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�
Dr. Andrew S. Wills,
Dept. of Chemistry,
Christopher Ingold Laboratories,
University College London,
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London,
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UK.
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