Synthesis and structure of BaSc3AgS6

• Published in: Journal of alloys and compounds Vol. 224; no. 2; pp. 199 - 202
• Main Authors: Wu, Ping, Pell, Michael A., Cody, Jason A., Ibers, James A.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 01.07.1995; Elsevier
• Subjects: Condensed matter: structure, mechanical and thermal properties; Crystal structure; Exact sciences and technology; Inorganic compounds; Miscellaneous; Physics; Quaternary sulfide; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Synthesis; Quaternary sulfide; Synthesis; Crystal structure; Scandium sulfides; Unit cell; Silver sulfides; Space groups; Barium sulfides; Lattice parameters; Quaternary compounds
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/0925-8388(95)01556-6

The new quaternary compound BaSc3AgS6 has been synthesized at 1000 °C. The compound crystallizes in the space group D2b16-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) Å, b = 11.108(2) Å, c = 10.914(3) Å (T = 115 K), V = 1958.4(7) Å3. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are Rw(F2) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having Fo2>2σ(Fo2). BaSc3AgS6 has a three-dimensional framework structure with single channels that accommodate Ba2+ cations. Sc3+ cations are octahedrally coordinated whereas Ag+ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.