Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW 2 O 9  and KNbW 2 O 9 | Zendy

McNulty Jason A. | Zendy; Gibbs Alexandra S. | Zendy; Lightfoot Philip | Zendy; Morrison Finlay D. | Zendy

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Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW 2 O 9 and KNbW 2 O 9

Author(s) -

McNulty Jason A.,

Gibbs Alexandra S.,

Lightfoot Philip,

Morrison Finlay D.

Publication year - 2019

Publication title -

acta crystallographica section b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.604

H-Index - 33

ISSN - 2052-5206

DOI - 10.1107/s2052520619009260

Subject(s) - tungsten , octahedron , hexagonal crystal system , crystallography , materials science , polar , crystal structure , physics , chemistry , metallurgy , astronomy

The ambient‐temperature structures (orthorhombic, space group Cmc 2 1 ) of the polar hexagonal tungsten bronzes RbNbW 2 O 9 and KNbW 2 O 9 have been determined by high‐resolution powder neutron diffraction. Displacement of the A ‐site cation along the polar c axis with concomitant octahedral tilting occurs to optimize the A cation bonding environment, hence reducing the coordination from 18 to 16. This effect is more evident in KNbW 2 O 9 due to decreased A cation size. The octahedral tilting in both compositions results in a doubling of the c axis that has not previously been reported, highlighting the importance of neutron diffraction as a complementary technique for structural determination of such systems.

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