Inorganic Chemistry, Vol.53, No.12, 6141-6148, 2014
Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R2Co2SiC (R = Pr, Nd)
The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group minim with unit cell parameters a = 3.978(4) angstrom, b = 6.094(5) angstrom, c = 8.903(8) angstrom (z = 2; R-1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (T-C approximate to 12 K for Nd2Co2SiC and T-C approximate to 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around similar to 12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments.