title: Equiatomic AEAuX (AE=Ca-Ba, X=Al-In) Intermetallics: A Systematic Study of their Electronic Structure and Spectroscopic Properties.
abstract: The three intermetallic compounds SrAuGa, BaAuAl and BaAuGa were synthesised from the elements in niobium ampoules. The Sr compound crystallises in the orthorhombic KHg2-type structure (Imma, a=465.6(1), b=771.8(2), c=792.6(2) pm, wR2=0.0740, 324 F2values, 13 variables), whereas the Ba compounds were both found to crystallise in the cubic non-centrosymmetric LaIrSi-type structure (P213, BaAuAl: a=696.5(1) pm; wR2=0.0427, 446 F2values, 12 variables; BaAuGa: a=693.49(4) pm, wR2=0.0717, 447 F2values, 12 variables). The samples were investigated by powder X-ray diffraction and their structures refined on the basis of single-crystal X-ray diffraction data. The title compounds, along with references from the literature (CaAuAl, CaAuGa, CaAuIn, and SrAuIn), were characterised further by susceptibility measurements and27Al and71Ga solid-state NMR spectroscopy. Theoretical calculations of the density of states (DOS) and the NMR parameters were used for the interpretation of the spectroscopic data. The electron transfer from the alkaline-earth metals and the group 13 elements onto the gold atoms was investigated through X-ray photoelectron spectroscopy (XPS), classifying these intermetallics as aurides.
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.|Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 28/30, 48149, Münster, Germany.
authors.forename: Christopher
authors.initials: C
authors.lastname: Benndorf
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.
authors.forename: Frank
authors.initials: F
authors.lastname: Stegemann
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.
authors.forename: Stefan
authors.initials: S
authors.lastname: Seidel
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.
authors.forename: Lea
authors.initials: L
authors.lastname: Schubert
authors.affiliation: Physikalisches Institut, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, 48149, Münster, Germany.
authors.forename: Manfred
authors.initials: M
authors.lastname: Bartsch
authors.affiliation: Physikalisches Institut, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, 48149, Münster, Germany.
authors.forename: Helmut
authors.initials: H
authors.lastname: Zacharias
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074, Aachen, Germany.
authors.forename: Bernhard
authors.initials: B
authors.lastname: Mausolf
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074, Aachen, Germany.|Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187, Dresden, Germany.
authors.forename: Frank
authors.initials: F
authors.lastname: Haarmann
authors.affiliation: Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 28/30, 48149, Münster, Germany.|Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, 13566-590, Brazil.
authors.forename: Hellmut
authors.initials: H
authors.lastname: Eckert
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.
authors.forename: Rainer
authors.initials: R
authors.lastname: Pöttgen
authors.affiliation: Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstrasse 30, 48149, Münster, Germany.|Institut für Chemie, Carl von Ossietzky Universität Oldenburg, Carl-von-Ossietzky Strasse 9-11, 26129, Oldenburg, Germany.
authors.forename: Oliver
authors.identifier: http://orcid.org/0000-0002-9480-3888
authors.initials: O
authors.lastname: Janka
keywords: X-ray photoelectron spectroscopy; alkaline-earth; gold; intermetallic phases; solid-state NMR