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 5
Potential and negative electric field around O1ⁱ in (a) the vacant and (b) the occupied cages on the plane of Al1^iv, O1ⁱ and Al1a^iv. Red solid contours are positive and blue broken ones are negative. The contours are at 0.2 e Å⁻¹. The arrows indicate the direction and strength of the electric field acting on a negative unit charge. For details see text.

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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