Determination of the local structure of a cage with an oxygen ion in Ca12Al14O33

Sakakura, T.; Tanaka, K.; Takenaka, Y.; Matsuishi, S.; Hosono, H.; Kishimoto, S.

doi:10.1107/S0108768111005179

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 6
Potential around O1ⁱⁱⁱ on the plane of Al1^iv, Al1a^iv and O1ⁱⁱⁱ in (a) vacant and (b) occupied cages. The potential at O1ⁱⁱⁱ is subtracted. Contours are as in Fig. 5

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 67| Part 3| April 2011| Pages 193-204

doi:10.1107/S0108768111005179

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