Icosahedral Li clusters in the structures of Li33.3Ba13.1Ca3 and Li18.9Na8.3Ba15.3 |
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Authors: | Volodymyr Smetana |
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Institution: | Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany |
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Abstract: | The intermetallic phases Li33.3Ba13.1Ca3 and Li18.9Na8.3Ba15.3 have been prepared and their crystal structures have been determined. According to single-crystal X-ray diffraction data, both compounds crystallize in new structure types with trigonal unit cells (Li33.3Ba13.1Ca3: R3¯c, a=19.9127(4) Å, c=90.213(3) Å, Z=18, V=30,978(1) Å3 and Li18.9Na8.3Ba15.3: P3¯, a=20.420(3) Å, c=92.914(19), Z=18, V=33,550(10) Å3). The first compound can be described as a complicated variant of the arsenic structure. The second has similar packing of the Ba atoms but differs from the Ca-containing phase in the packing of the light elements. Both compounds contain icosahedron-based polytetrahedral clusters, typical for Li-rich phases, e.g. Ba19Li44. |
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Keywords: | Subnitride Barium Sodium Lithium clusters Intermetallic compounds |
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