Received 31 January 2013
Barium dierbium(III) tetrasulfide, BaEr2S4, crystallizes with four formula units in the orthorhombic space group Pnma in the CaFe2O4 structure type. The asymmetric unit contains two Er, one Ba, and four S atoms, each with .m. site symmetry. The structure consists of channels formed by corner- and edge-sharing ErS6 octahedra in which Ba atoms reside. The resultant coordination of Ba is that of a bicapped trigonal prism.
The unit-cell parameters of BaEr2S4, which crystallizes in the CaFe2O4 structure type (Decker & Kasper, 1957), were previously determined from X-ray powder diffraction data (Patrie et al., 1964). For related structures, see: Bugaris & Ibers (2009); Narducci et al. (2000); Carpenter & Hwu (1992); Flahaut et al. (1965); Schurz & Schleid (2011). For synthetic details, see: Bugaris & Ibers (2008); Haneveld & Jellinek (1969). For standardization of structural data, see: Gelato & Parthé (1987).
Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b); molecular graphics: CrystalMaker (Palmer, 2012); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2222 ).
The research was kindly supported at Northwestern University by the US Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division and Division of Materials Science and Engineering Grant ER-15522. Use was made of the IMSERC X-ray Facility at Northwestern University, supported by the International Institute of Nanotechnology (IIN).
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