Acta Cryst. (2013). C69, 1-4 [ doi:10.1107/S0108270112050032 ]
Abstract: The syntheses and single-crystal and electronic structures of three new ternary lithium rare earth germanides, RE5-xLixGe4 (RE = Nd, Sm and Gd; x 1), namely tetrasamarium lithium tetragermanide (Sm3.97Li1.03Ge4), tetraneodymium lithium tetragermanide (Nd3.97Li1.03Ge4) and tetragadolinium lithium tetragermanide (Gd3.96Li1.03Ge4), are reported. All three compounds crystallize in the orthorhombic space group Pnma and adopt the Gd5Si4 structure type (Pearson code oP36). There are six atoms in the asymmetric unit: Li1 in Wyckoff site 4c, RE1 in 8d, RE2 in 8d, Ge1 in 8d, Ge2 in 4c and Ge3 in 4c. One of the RE sites, i.e. RE2, is statistically occupied by RE and Li atoms, accounting for the small deviation from ideal RE4LiGe4 stoichiometry.
Formula: Sm3.97Li1.03Ge4, Nd3.97Li1.03Ge4 and Gd3.96Li1.03Ge4
Structure factor file (CIF format) (58.8 kbytes)
Structure factor file (CIF format) (54.3 kbytes)
Structure factor file (CIF format) (51.8 kbytes)
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