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Journal Article

Crystal Structure, Chemical Bonding, and Phase Relations of the Novel Compound Co4Al7+xSi2-x(0.27 ≤ x ≤ 1.05)

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Prots,  Y.
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Y.
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Richter, K. W., Prots, Y., & Grin, Y. (2005). Crystal Structure, Chemical Bonding, and Phase Relations of the Novel Compound Co4Al7+xSi2-x(0.27 ≤ x ≤ 1.05). Inorganic Chemistry, 44(13), 4576-4585. doi:10.1021/ic0401243.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0015-2CB5-A
Abstract
The title compound represents a new type of structure for intermetallic compounds (Pearson symbol mC26, space group C2/m). Partial disorder caused by the Al/Si substitution in one of the five main group element positions may be described by several ordering models yielding different Al/Si occupation motifs and different distributions of interatomic distances. Chemical bonding analysis with the electron localization function (ELF) reveals a covalently bonded Al/Si network and rather ionic interactions between Co and the network.