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First principles calculations of (Ba,Sr)(Co,Fe)O3−δ structural stability

✍ Scribed by Kuklja, M.M.; Mastrikov, Yu.A.; Jansang, B.; Kotomin, E.A.

Book ID
120172240
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
690 KB
Volume
230
Category
Article
ISSN
0167-2738

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The crystal structure of Sr 3 Fe 2 O 7Ϫd with iron in the average oxidation state ϩ 4 has been studied by time-of-flight neutron powder diffraction. The diffraction data were collected at more than 30 points between 18 and 300 K. A slight anomalous behavior in lattice parameters was observed at aro