Crystal data and spectroscopic studies of NaNiFe2(AsO4)3

Augsburger, M. S.; Juri, M. A.; Pedregosa, J. C.; Mercader, R. C.

doi:10.1016/0022-4596(92)90201-6

Cited by 7 publications

(1 citation statement)

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“…It is probable that a band should be observed below 400 cm À1 . A comparison with data of similar monoarsenates from the literature was used to assign the IR bands (Augsburger et al, 1992;Khorari et al, 1995). The stretching vibrations of Al-O in the octahedral AlO 6 groups appear also in the 570-400 and 970-640 cm À1 regions (Queiroz et al, 2016).…”

Section: Ir Spectroscopymentioning

confidence: 99%

An arsenate with the α-CrPO₄structure type, NaCa_1–xNi_3–2xAl_2x(AsO₄)₃(x= 0.23): crystal structure, charge-distribution and bond-valence-sum analyses

Smaïl

Zid

2017

Acta Crystallogr C

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Since the discovery of electrochemically active LiFePO, materials with tunnel and layered structures built up of transition metals and polyanions have become the subject of much research. A new quaternary arsenate, sodium calcium trinickel aluminium triarsenate, NaCaNiAl(AsO) (x = 0.23), was synthesized using the flux method in air at 1023 K and its crystal structure was determined from single-crystal X-ray diffraction (XRD) data. This material was also characterized by qualitative energy-dispersive X-ray spectroscopy (EDS) analysis and IR spectroscopy. The crystal structure belongs to the α-CrPO type with the space group Imma. The structure is described as a three-dimensional framework built up of corner-edge-sharing NiO, (Ni,Al)O and AsO polyhedra, with channels running along the [100] and [010] directions, in which the sodium and calcium cations are located. The proposed structural model has been validated by bond-valence-sum (BVS) and charge-distribution (CHARDI) tools. The sodium ionic conduction pathways in the anionic framework were investigated by means of the bond-valence site energy (BVSE) model, which predicted that the studied material will probably be a very poor Na ion conductor (bond-valence activation energy ∼7 eV).

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Section: Ir Spectroscopymentioning

confidence: 99%