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Cover Picture: Crystal Research and Technology 10'2017
Publication year - 2017
Publication title -
crystal research and technology
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201770010
Subject(s) - ionic bonding , valence (chemistry) , intermetallic , crystallography , crystal (programming language) , chemistry , physics , theoretical physics , computer science , ion , quantum mechanics , organic chemistry , alloy , programming language
The cover picture shows the shapes QTAIM atomic basins in YbIn 1−x Au 1+x (0.0 ≤ x ≤ 0.3), an intermediate‐valence intermetallic phase with a homogeneity range (Yb – blue, In – green, Au – reddish and red, the unit cell of the crystal structure is shown in orange). Analysis of chemical bonding with the real‐space techniques (QTAIM and ELI‐D) reveals ionic interactions between the atoms caused by strong charge transfer. The ionic bonding is supported by the dative interaction Au→Yb. Dynamic intermediate valence of Yb increases with x. The 197 Au Mössbauer spectra indicate auridic character of gold, well in agreement with results of quantum chemical calculations. (Picture: Yuri Grin et al., article number 1700101, in this issue)