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 8
Potential on the plane perpendicular to the $[\overline 4]$ axis, including the Ca ion at the centre around (a) Ca1^ix, (b) Ca1^x and (c) Ca1^xi in the occupied cage. The potential of the Ca ion is normalized to zero; contours are as in Fig. 5

. Ca1c ions are added as dark brown balls.

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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