2014
DOI: 10.1039/c4ta03213f
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Short-range structure of the brownmillerite-type oxide Ba2In2O5and its hydrated proton-conducting form BaInO3H

Abstract: The vibrational spectra and short-range structure of the brownmillerite-type oxide Ba2In2O5 and its hydrated form BaInO3H, are investigated by means of Raman, infrared, and inelastic neutron scattering spectroscopies together with density functional theory calculations. For Ba2In2O5, which may be described as an oxygen deficient perovskite structure with alternating layers of InO6 octahedra and InO4 tetrahedra, the results affirm a short-range structure of Icmm symmetry, which is characterized by random orient… Show more

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Cited by 38 publications
(65 citation statements)
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“…These spectral bands so obtained are in accordance with the earlier reported bands for similar perovskite system [17,18]. The Raman bands in the range 180-300 cm −1 correspond to tilt modes of InO 6 [19]. Similar types of tilt in FeO 6 octahedra have been reported by Thakur et al [20] for BiFeO 3 system.…”
Section: Raman Spectrasupporting
confidence: 92%
“…These spectral bands so obtained are in accordance with the earlier reported bands for similar perovskite system [17,18]. The Raman bands in the range 180-300 cm −1 correspond to tilt modes of InO 6 [19]. Similar types of tilt in FeO 6 octahedra have been reported by Thakur et al [20] for BiFeO 3 system.…”
Section: Raman Spectrasupporting
confidence: 92%
“…The broadband with a maximum at about 770 cm -1 can be assigned to the stretching vibrations of V-O bonds in the isolated VO 4 tetrahedron [12,14]. The less intense band with a maximum at *590 cm -1 corresponds to the stretching vibrations of In-O bonds in InO 6 octahedrons [19][20][21]. With high probability, the broadband in the range 550-400 cm -1 can be assigned to the vibrations of Cu-O bonds in CuO 6 octahedrons [13].…”
Section: Resultsmentioning
confidence: 96%
“…On the basis of the literature data [12,13], the first absorption band (770 cm -1 ) can be with high probability assigned to the stretching vibrations of the longest V-O bonds in trigonal VO 5 bipyramids [14][15][16][17][18]. The second band with a maximum at about 600 cm -1 corresponds mainly to the stretching vibrations of the In-O bonds in InO 6 octahedrons [19][20][21]. The broadband with a maximum at 410 cm -1 corresponds to the vibrations of Cu-O bonds in trigonal CuO 5 bipyramids [13,22].…”
Section: Resultsmentioning
confidence: 98%
“…It appears that this slight deviation from a cubic perovskite does not induce an anisotropy of the energy barriers. It does, however induce an order among protons according to theoretical predicitons, as discussed in literature [21][22] . Like the order among oxygen ions, this is expected restrict the number of free sites available for jumps in a certain direction, resulting in the anisotropy of 0 (Fig.…”
Section: Anisotropic Ion Conductivity As Shown Inmentioning
confidence: 93%
“…The hydrated compound of BIO, Ba2In2O6H2, is described by alternating layers of different types of InO6 octahedra 18,21 . The hydrated material can be dehydrated by a heat treatment under dry conditions.…”
mentioning
confidence: 99%