Oxygen Position, Octahedral Distortion, and Bond‐Valence Parameter from Bond Lengths in Ti 1− x  Sn  x  O 2  (0 ≤ x ≤ 1) | Zendy

Hirata Toshiya | Zendy

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Oxygen Position, Octahedral Distortion, and Bond‐Valence Parameter from Bond Lengths in Ti 1− x Sn x O 2 (0 ≤ x ≤ 1)

Author(s) -

Hirata Toshiya

Publication year - 2000

Publication title -

journal of the american ceramic society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.9

H-Index - 196

eISSN - 1551-2916

pISSN - 0002-7820

DOI - 10.1111/j.1151-2916.2000.tb01706.x

Subject(s) - octahedron , valence (chemistry) , bond length , ionic radius , crystallography , ionic bonding , chemistry , materials science , crystal structure , ion , organic chemistry

Based on the virtual crystal approximation (or Vegard's law), the bond lengths of Ti 1− x Sn x O 2 were deduced from those of TiO 2 and SnO 2 , to allow the oxygen position and octahedral distortion to be determined as a function of x . The oxygen positional parameter ( u ) increased linearly when the Sn 4+ cation (which has a larger ionic radius) was substituted for the Ti 4+ cation, whereas the octahedral distortion exhibited a nonlinear decay with increasing x in Ti 1− x Sn x O 2 . At the same time, the bond‐valence parameter, which relates bond valence to bond length, so that the central atom in the octahedron can retain a constant valence of +4.0, exhibited a correlation with u for Ti 1− x Sn x O 2 . The present results indicate that the different phonon/physical properties of TiO 2 and SnO 2 and/or their dependence on x in Ti 1− x Sn x O 2 can be associated with different octahedral distortions.

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