Zeitschrift für anorganische und allgemeine Chemie

Volume 639, Issue 11 pp. 2071-2076

Article

Structure and Chemical Bonding of ScNiB₄

Georg Eickerling,

Georg Eickerling

Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany

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Wolfgang Scherer,

Corresponding Author

Wolfgang Scherer

[email protected]

Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany

Wolfgang Scherer, Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany, Fax: +49-251-83-36002

Rainer Pöttgen, Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany, Fax: +49-821-598-3227

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Thomas Fickenscher,

Thomas Fickenscher

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

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Ute Ch. Rodewald,

Ute Ch. Rodewald

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

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Rainer Pöttgen,

Corresponding Author

Rainer Pöttgen

[email protected]

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

Wolfgang Scherer, Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany, Fax: +49-251-83-36002

Rainer Pöttgen, Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany, Fax: +49-821-598-3227

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Georg Eickerling,

Georg Eickerling

Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany

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Wolfgang Scherer,

Corresponding Author

Wolfgang Scherer

[email protected]

Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany

Wolfgang Scherer, Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany, Fax: +49-251-83-36002

Rainer Pöttgen, Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany, Fax: +49-821-598-3227

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Thomas Fickenscher,

Thomas Fickenscher

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

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Ute Ch. Rodewald,

Ute Ch. Rodewald

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

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Rainer Pöttgen,

Corresponding Author

Rainer Pöttgen

[email protected]

Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany

Wolfgang Scherer, Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany, Fax: +49-251-83-36002

Rainer Pöttgen, Institut für Physik, Universität Augsburg, Universitätsstrasse 1, 86159 Augsburg, Germany, Fax: +49-821-598-3227

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First published: 22 May 2013

https://doi.org/10.1002/zaac.201200522

Citations: 9

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Abstract

The ternary polyboride ScNiB₄ was synthesized from the elements by arc-melting and subsequent annealing for crystal growth. The structure of ScNiB₄ was investigated by X-ray diffraction on powder and a single crystal (high-resolution data up to 2θ = 140°, Mo-K_α radiation): YCrB₄ type, Pbam, a = 578.7(2), b = 1120.7(3), c = 327.2(1) pm, R1 = 0.0477 (1286 F² values with I ≥ 2(I)), wR2 = 0.1137 (all 2225 F² values), and 38 variables. The four crystallographically independent boron sites build up planar layers which consist of almost regular pentagons and heptagons which sandwich the nickel and scandium atoms, respectively. Within the two-dimensional [B₄] networks each boron atom has slightly distorted trigonal planar boron coordination with B–B distances in the range 171–181 pm. A topological analysis of the electron density reveals the differences between the bonding situation of the scandium atoms in the heptagonal prismatic environment on the one hand and the Ni atoms in the pentagonal prismatic environment on the other hand.

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