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The crystal structures of Mo4Al17 and Mo5Al22

Published/Copyright: July 28, 2010

Abstract

Single crystals of two phases in the binary Mo – Al system were obtained from heat treated aluminum-rich alloys after the dissolution of the remaining solidified aluminum in hydrochloric acid. The crystal structures have been investigated using four-circle diffractometer data: Mo4Al17 was found to be monoclinic (space group C2, a = 9.158(1) Å, b = 4.9323(8) Å, c = 28.935(5) Å, β = 96.71(1)°, Z = 4), while Mo5Al22 was determined to be orthorhombic (space group Fdd2, a = 73.82(3) Å, b = 9.161(3) Å, c = 4.933(2) Å, Z = 8).

Three different polyhedrons represent the atomic environment: a hexagonal cuboctahedron (CN = 12), a defect cuboctahedron (CN = 11) and a combination from cuboctahedron and rhombododecahedron (CN = 13).

The crystal structures are interpreted in terms of the “intergrowth” concept as being built from slab segments taken from the closest packing with the composition TAl5 (related to WAl5 structure type, T – transition metal) and segments taken from the TiSi2 structure type (composition TAl2). The composition of the unit cell is described by the formula Mo2m+2nAl10m+4n(m – number of TAl5-segments and n – number of TiSi2-segments in the unit cell).

Published Online: 2010-7-28
Published in Print: 1995-2-1

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