Synthesis and Structure Determination of Nd16Ti5S17O17

The structure of the new compound Nd16Ti5S17O17 was determined by single-crystal X-ray diffraction. The following data were obtained: Mr=3364.4 gmol-1, tetragonal symmetry, space group I4/m (No. 87), unit cell parameters a=22.153(2) ?, c=3.9426 (3) ?, V=1935 ?3, Z=2. Refinement for 1282 unique reflections and 62 parameters converged to the reliability factor R=2.22% (for 1059 reflections with I3(I)). The structure can be schematically described on the basis of [NdS] plane fragments connected by "(Nd8S9)" clusters, which delimit a filled channel of squared section. Within these channels, octahedral Ti-centered chains are developed along the c axis.