| Autor: |
Gourdon O; Laboratoire de Chimie des Solides, IMN, UMR C6502 CNRS, Universite de Nantes, France., Petricek V V, Evain M |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section B, Structural science [Acta Crystallogr B] 2000 Jun; Vol. 56 (Pt 3), pp. 409-18. |
| DOI: |
10.1107/s0108768100002160 |
| Abstrakt: |
Sr(9/8)TiS3, strontium titanium sulfide, a new phase in the hexagonal perovskite-like Sr(x)TiS3 system, has been prepared and its structure solved from single-crystal X-ray data within the (3 + 1)-dimensional [(3 + 1)D] formalism. Sr(9/8)TiS3 crystallizes with trigonal symmetry [R3m(00gamma)0s superspace group], with the following lattice parameters: a(s) = 11.482 (3), c(s) = 2.9843 (8) A, q = 0.56247 (7)c* and Vs = 340.7 (3) A3. 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. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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