Bonding and Charge Distribution in Polyoxometalates: A Bond by D. Michael P. Mingos

By D. Michael P. Mingos

Content material: Bond length-bond valence relationships, with specific connection with polyoxometalate chemistry / K.H. Tytko -- A bond version for polyoxometalate ions composed of MO6 octahedra (MOk polyhedraa with okay > four) / K.H. Tytko -- Bonding and cost distribution in isopolyoxometalate ions and suitable oxides -- a bond valence process / K.H. Tytko

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Additional resources for Bonding and Charge Distribution in Polyoxometalates: A Bond Valence Approach (Structure and Bonding, Volume 93)

Example text

Since, on the other hand, the standard deviation for the sum of the bond valences about Mo for the set of reference structures on application of Eq. u. 010 ~k (for the set of reference structures). ) This value is confirmed by the asi value (Table 6) which gives with application of Eq. 010 A. Hence the structures of the sets of reference species are affected with a systematic bond length error of O-dsyst= 0 . 010A. 007 A for the few Nb compounds. This far-reaching correspondence of the ad standard deviations in combination with the absence of improvement in the standard deviation a z by introduction of a third bond length-bond valence parameter (compare Sects.

C. ~ ~,~ ~ , ~ . ~ "~,~ ~ o ~ o. ~ = ~ o ~ ~ ~ ~ II 0 .. H. Tytko et al. p y r a m i d s in the h e x a m e r i c b u i l d i n g unit; for the s t r u c t u r e s see Ref. 44). In all cases B a n d do can exactly be r e p r o d u c e d (see Fig. 3a). In practice, for real s t r u c t u r e d e t e r m i n a t i o n s with b o n d lengths errors, there arise severe b u t well u n d e r s t a n d a b l e difficulties. u. u. (2% o f n) for M vI species (see Table 2). This w o r k s necessarily at the e x p e n s e o f the c o r r e c t n e s s o f B.

7) we can formulate as average error square for the bond valence of the M - O bonds about the O atoms or for the charge on the O atoms for a set of reference structures (for f and i see Eq. (7)). , the n u m b e r of M - O bonds or the number of O atoms in the individual structures 2, and takes into consideration that there 2Note that both expressions of Eq. (9) represent the same and do n o t characterize the paths to c~ and (re, respectively. The paths leading to ~r~ and ac via ev (Eq. (10)) differ by the different meaning of flf in both cases.

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