Crystal structure of sodium trigallium pentaselenide, NaGa3Se5

Source of material: Single crystals of the new nonmetallic filledup β-Μπ phase NaGaaSes could be prepared by direct reaction of stoichiometric mixtures of the elements at 1030 K. Compared to all known chalcogenides with this structure type (for example AgaGaöTeia SnGaeTeia GavTeio see refs.1-3), the Ga^^ are ordered in a hitherto unknown way.The ordering is characterized by a fi^nework of comer-, edge-and face-sharing GaSe4-tetrahedra, which compared to NaGaaTes (see ref. 4) is much more complex.This is indicated by the lower synunetry of this space group and by the increased unit cell volunte.Ga6Na2Seia oithorhombic, P2\2\2\ (No. 19), a =9.730(2)Â, ¿>=26.939(5)Â, с =13.597(3)К V=3564.0Â^Z=8, R(F) =Ю.036, R^F^) =0.084.

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