R. Pottgen et al., STRUCTURE, CHEMICAL BONDING, AND PROPERTIES OF COIN3, RHIN3, AND IRIN3, Zeitschrift fur anorganische und allgemeine Chemie, 624(2), 1998, pp. 244-250
Citations number
36
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Zeitschrift fur anorganische und allgemeine Chemie
CoIn3, RhIn3, and IrIn3 were synthesized by reacting the elements in s
ealed tantalum tubes at 1170 K and subsequent annealing at 718 K, The
structures of the three compounds (FeGa3 type, Space group P4(2)/mnm)
were refined from single crystal X-ray data: a = 682.82(6), c = 709.08
(7) pm, wR2 = 0.0407, 397 F-2 values for CoIn3, a = 698.28(8), c = 711
.11(9) pm, wR2 = 0.0592, 418 F-2 values for RhIn3, and a = 699.33(5),
c = 719.08(5) pm, wR2 = 0.0625, 482 F-2 values for IrIn3 with 16 param
eters for each refinement. The structures may be considered as an inte
rgrowth of tungsten-like building blocks of indium atoms and AlB2-like
slabs of compositions In square Co, In square Rh, and In square Ir, r
espectively. These are compared with the related intergrowth var iants
found for compounds with ordered U3Si2 and Zr3Al2 type structure. Sem
i-empirical band structure calculations for RhIn3 reveal low density-o
f-states (DOS) at the Fermi level and negative Rh-Rh crystal orbital o
verlap populations (COOP) indicating antibonding Rh-Rh interactions. T
he bonding characteristics of CoIn3, RuIn3, and IrIn3 are similar to R
hIn3. Magnetic susceptibility measurements of compact polycrystalline
samples of CoIn3, RhIn3. and IrIn3 indicate weak Pauli paramagnetism.