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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Dr. Andrew S. Wills,
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Christopher Ingold Laboratories,
University College London,
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