Redetermination of the crystal structure of R (5)Si(4) (R = Pr, Nd) from single-crystal X-ray diffraction data

The crystal structures of praseodymium silicide (5/4), Pr(5)Si(4), and neodymium silicide (5/4), Nd(5)Si(4), were redetermined using high-quality single-crystal X-ray diffraction data. The previous structure reports of Pr(5)Si(4) were only based on powder X-ray diffraction data [Smith et al. (1967 ▸). Acta Cryst. 22 940–943; Yang et al. (2002b ▸). J. Alloys Compd. 339, 189–194; Yang et al., (2003 ▸). J. Alloys Compd. 263, 146–153]. On the other hand, the structure of Nd(5)Si(4) has been determined from powder data [neutron; Cadogan et al., (2002 ▸). J. Phys. Condens. Matter, 14, 7191–7200] and X-ray [Smith et al. (1967 ▸). Acta Cryst. 22 940–943; Yang et al. (2002b ▸). J. Alloys Compd. 339, 189–194; Yang et al., (2003 ▸). J. Alloys Compd. 263, 146–153] and single-crystal data with isotropic atomic displacement parameters [Roger et al., (2006 ▸). J. Alloys Compd. 415, 73–84]. In addition, the anisotropic atomic displacement parameters for all atomic sites have been determined for the first time. These compounds are confirmed to have the tetra­gonal Zr(5)Si(4)-type structure (space group: P4(1)2(1)2), as reported previously (Smith et al., 1967 ▸). The structure is built up by distorted body-centered cubes consisting of Pr(Nd) atoms, which are linked to each other by edge-sharing to form a three-dimensional framework. This framework delimits zigzag channels in which the silicon dimers are situated.