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

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.
Authors:
 [1] ;  [1] ;  [1]
  1. Ames Laboratory
Publication Date:
OSTI Identifier:
1149362
Report Number(s):
IS-J 8303
Journal ID: ISSN 0020-1669
DOE Contract Number:
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 53
Publisher:
American Chemical Society (ACS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Nonferrous Metals and Alloys