Abstract：
:The crystal structure of the Sb6O13 oxide, exhibiting a defect pyrochlore crystal structure with atomic vacancies, has been studied using a complete set of state-of-the-art techniques. The degree of antimony disproportionation in Sb3+ and Sb5+ valence states has been directly determined around 36% and 64%, respectively, using X-ray absorption near edge structure (XANES). These findings are in excellent agreement with our Rietveld analysis of synchrotron X-ray (SXRD) and neutron powder diffraction (NPD) results. Moreover, the highly distorted Sb3+ coordination due to its lone electron pair has been critically revisited. The bonding distances and coordination of Sb3+ and Sb5+ species closely agree with an extensive dynamic and crystallographic determination using the Extended X-ray Absorption Fine Structure (EXAFS) technique. Most importantly, the specific local disorder of the two distinctive Sb ions has been crosschecked monitoring their unusual Debye-Waller factors.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Mayer SF,Rodrigues JE,Marini C,Fernández-Díaz MT,Falcón H,Asensio MC,Alonso JAdoi
10.1038/s41598-020-73860-0subject
Has Abstractpub_date
2020-10-12 00:00:00pages
16956issue
1issn
2045-2322pii
10.1038/s41598-020-73860-0journal_volume
10pub_type
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