Ordered BaAl4- Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts

Journal Article · Wed May 28 00:00:00 EDT 2014 · Inorganic Chemistry

DOI:https://doi.org/10.1021/ic402991d· OSTI ID:1149362

Lin, Qisheng ^[1]; Miller, Gordon J. ^[1]; Corbett, John D. ^[1]

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1. Ames Laboratory

Three ordered structures of the tetragonal BaAl4 type were identified in the Ba–Au–Sn system, from which a unified view of the interplay between the valence electron counts (VECs) and phase stabilities of these three types of derivatives can be developed. The BaNiSn3 (I4mm), ThCr2Si2 (I4/mmm), and CaBe2Ge2 (P4/nmm) type BaAuxSn4–x phases occurred respectively at x = 0.78(1)–1, 1.38(1)–1.47(1), and 1.52(1)–2.17(1), consistent with theoretical atomic “coloring” analyses that reveal an optimal VEC of 14 for the ThCr2Si2 type but larger and smaller values respectively for the BaNiSn3- and CaBe2Ge2-type structures.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC02-07CH11358
• OSTI ID: 1149362
• Report Number(s): IS-J 8303
• Journal Information: Inorganic Chemistry, Vol. 53; ISSN 0020-1669
• Publisher: American Chemical Society (ACS)
• Country of Publication: United States
• Language: English

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