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Single crystals of the new ternary borides Fe 3 Al 2 B 2  and Ru 9 Al 3 B 8  were obtained from the elements at 1900°C. Both compounds represent new structure types which combine well-known features of binary and ternary borides of transition metals in combination with aluminum. The crystal structure of Fe 3 Al 2 B 2  ( P 2/ m ,  Z =2,  a =5.724,  b =2.857,  c =8.723 Å, β=98.57°) contains tetramers of face-sharing trigonal prisms BFe 6  with a B 4  unit in trans-configuration. The tetrameric units are separated by Al-atoms which occupy all remaining rectangular sites of the trigonal prisms. The structure can be derived from Fe 2 AlB 2  by insertion of additional FeAl fragments in a  bcc  arrangement. The crystal structure of Ru 9 Al 3 B 8  ( P 6̅2 m ,  Z =1,  a =9.078,  c =2.913 Å) combines zig-zag chains of boron atoms made of face-sharing trigonal prisms BFe 6  and isolated BFe 6  units. Three of these chains are connected by common corners to rods running in direction [001]. The rods are linked to a three-dimensional framework by isolated prisms via common edges. Again, Al occupies the capping positions of the trigonal prisms. Ru 9 Al 3 B 8  is the second representative for the combination of boron zig-zag chains and isolated B atoms. The existence of Ru 4 Al 3 B 2  ( P 4/ mmm ,  Z =2,  a =8.515,  c =2.924 Å) and Ru 9 Al 5 B 8−x  ( P 4/ m ,  Z =1,  a =8.741,  c =2.923 Å) were confirmed and the crystal structures refined. High quality data reveal a stoichiometric composition for Ru 4 Al 3 B 2 , while in Ru 9 Al 5 B 8−x  there is a significant underoccupation (i.e. x≈2) of the central boron site within the B 4  units. The crystal structures of all four compounds represent examples for the combination of CsCl and AlB 2  fragments as they were frequently found for ternary borides of transition metals.

zeitschrift für kristallographie - crystalline materials 

Synthesis and crystal structures of the new ternary borides Fe 3 Al 2 B 2  and Ru 9 Al 3 B 8  and the confirmation of Ru 4 Al 3 B 2  and Ru 9 Al 5 B 8−x  (x≈2)