Abstract

The tetrahedrally close-packed (tcp) structures of intermetallic compounds are characterized by exclusively tetrahedral voids and cannot accommodate “interstitial atoms” like carbon or boron. In many transition metal compounds, boron and carbon are in trigonal prisms. As a consequence, the formation of ternary phases like Nd2Fe14B or Mn5SiC requires a deformation of close-packed structures from which these structures may be derived. The hexagonal or pentagonal antiprisms surrounded by tetrahedral interstices which characterize these complex metallic structures are systematizxcally transformed to hexagonal or pentagonal prisms surrounded by trigonal prisms. Similarly Fe5SiB2 may be derived from a hypothetical structure “Fe2Si” of type Fe2B in which the squared antiprisms surrounded by tetrahedral interstices are transformed to squared prisms surrounded by trigonal prisms.

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