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Sr9/8TiS3, strontium titanium sulfide, a new phase in the hexagonal perovskite-like SrxTiS3 system, has been prepared and its structure solved from single-crystal X-ray data within the (3 + 1)-dimensional [(3 + 1)D] formalism. Sr9/8TiS3 crystallizes with trigonal symmetry [R3m(00γ)0s superspace group], with the following lattice parameters: as = 11.482 (3), cs = 2.9843 (8) Å, q = 0.56247 (7)c* and Vs = 340.7 (3) Å3. The structure was considered as commensurate [R3c three-dimensional (3D) space group], but refined within the (3 + 1)D formalism to a residual factor R = 2.79% for 64 parameters and 1084 independent reflections. Original crenel functions were used for the sulfur and strontium description. The structure is different from that of the hexagonal perovskite-like oxide counterparts. The main difference is related to the presence of a new type of polyhedron in the [MS3] transition metal chains, intermediate between the octahedra classically found in such chains and the trigonal prismatic sites encountered in the oxides.

Supporting information

sft

Structure factor file (SHELXL table format) https://doi.org/10.1107/S0108768100002160/lc0021sup1.sft
Supplementary material

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S0108768100002160/lc0021sup2.pdf
Supplementary material


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