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A niobium phosphate with a tunnel structure: Ca sub 0. 5+x Cs sub 2 Nb sub 6 P sub 3 O sub 24

Journal Article · · Journal of Solid State Chemistry; (USA)
A new niobium phosphate, Ca{sub 0.5+x}Cs{sub 2}Nb{sub 6}P{sub 3}O{sub 24} has been isolated. It crystallizes in the R32 space group, with the following parameters of the hexagonal cell: a{sub H} = 13.379 {angstrom}, c{sub H} = 10.371 {angstrom}. The determination of the structure by a single crystal X-ray diffraction study shows that its host lattice (Nb{sub 6}P{sub 3}O{sub 24}){sub {infinity}} can be described as the assemblage of mixed chains (Nb{sub 2}PO{sub 13}){sub {infinity}} running along c{sub H} in which one PO{sub 4} tetrahedron alternates with two NbO{sub 6} octahedra. This framework delimits huge tunnels where the cesium cations are located and cages formed by (Nb{sub 6}P{sub 3}O{sub 36}) units occupied by calcium. The most striking feature of this framework deals with its similarity with the hexagonal tungsten bronze of Magneli (HTB). The latter is discussed here by considering the stacking along c of (Nb{sub 2}PO{sub 8}){sub {infinity}} layers whose geometry is closely related to that of the HTBs. The possibility of nonstoichiometry leading to a mixed valency of niobium is considered.
OSTI ID:
5558830
Journal Information:
Journal of Solid State Chemistry; (USA), Journal Name: Journal of Solid State Chemistry; (USA) Vol. 90:2; ISSN 0022-4596; ISSN JSSCB
Country of Publication:
United States
Language:
English