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• W3108452674 startingPage "18420" @default.
• W3108452674 abstract "While lithium phosphides have been investigated intensively, very little is known about the corresponding sodium-based phosphides. Here, we report on the first ternary Na–Ta–P compound Na7TaP4, which is easily accessible via ball milling of the elements and subsequent annealing. The single crystal X-ray structure determination [monoclinic symmetry; space group P21/c; and lattice parameters a = 11.5604(4), b = 8.1530(3), c = 11.5450(5) Å, and β = 101.602(3)°] reveals [TaP4]7– tetrahedra, which are surrounded by Na+ counterions. Na7TaP4 crystallizes in a new structure type. The structure can be described as a strongly distorted hexagonal close packing of P atoms, in which the Ta atoms are located in tetrahedral voids, and Na atoms occupy all octahedral voids and additionally 3/8 of the tetrahedral voids. The possibility to increase the ion conductivity by changing the number of charge carriers through aliovalent substitution in compounds containing [SiP4]8– and [AlP4]9– is considered. The 31P and 23Na MAS NMR as well as the Raman spectra are in accordance with the structure model, and band structure calculations predict a direct band gap of 2.9 eV." @default.
• W3108452674 created "2020-12-07" @default.
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• W3108452674 date "2020-11-30" @default.
• W3108452674 modified "2023-10-17" @default.
• W3108452674 title "Na₇TaP₄: A Ternary Sodium Phosphidotantalate Containing [TaP₄]^7– Tetrahedra" @default.
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• W3108452674 doi "https://doi.org/10.1021/acs.inorgchem.0c03021" @default.
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• W3108452674 hasPublicationYear "2020" @default.
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