Kristallstrukturuntersuchung am Barium-Yanadyl-Vanadat: Ba2(VO)V2O8 / Crystal Structure Investigation of the Barium Vanadyl-Vanadate: Ba2(VO)V2O8

Feldmann, Jörg; Müller‐Buschbaum, Hk.

doi:10.1515/znb-1996-0409

Cited by 15 publications

(5 citation statements)

References 10 publications

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“…Despite the identical stoichiometry, they crystallize in different structures, which were first determined by J. Feldmann and Hk. Müller-Buschbaum 31,32 and latter on confirmed by O. Mentre et al 33 and A. C. Dhaussy et al 34 (Fig. 1).…”

Section: Structuressupporting

confidence: 52%

“…The sample were characterized using a STOE powder-diffractometer. For both compounds, the diffractograms could be very well fitted using the structure proposed by Feldmann 31,32 . No extra peaks corresponding to foreign phases were observed.…”

Section: Experimental Techniquesmentioning

confidence: 89%

“…In SVO, the vanadyl bond is formed between the V +4 and the O-ions that connects the octahedra but it is not clear in wich sense it is directed. The refinement of the XR-data 31,32 lead to a splitting of the V-site towards both directions, both positions being statistically occupied to 50%. From simple energy considerations, one expect a long range ordering of the vanadyl bonds within one chain, all pointing in the same sense, in order to avoid one connecting O-ion being involved into two vanadyl bonds (in this case the oxydation state of the Oxygen would be lower than -2).…”

Section: Structuresmentioning

confidence: 96%

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Sr2V3O9an

Kaul¹,

Rösner

Yushankhai³

et al. 2003

Phys. Rev. B

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The magnetic behaviour of the low-dimensional Vanadium-oxides Sr2V3O9 and Ba2V3O9 was investigated by means of magnetic susceptibility and specific heat measurements. In both compounds, the results can be very well described by an S = 1 2 Heisenberg antiferromagnetic chain with an intrachain exchange of J = 82 K and J = 94 K in Sr2V3O9 and Ba2V3O9, respectively. In Sr2V3O9, antiferromagnetic ordering at TN = 5.3 K indicate a weak interchain exchange of the order of J ⊥ ∼ = 2 K. In contrast, no evidence for magnetic order was found in Ba2V3O9 down to 0.5 K, pointing to an even smaller interchain coupling. In both compounds, we observe a pronounced Curie-like increase of χ(T) below 30 K, which we tentatively attribute to a staggered field effect induced by the applied magnetic field. Results of LDA calculations support the quasi one-dimensional character and indicate that in Sr2V3O9, the magnetic chain is perpendicular to the structural one with the magnetic exchange being transferred through VO4 tetrahedra.

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Section: Structuressupporting

confidence: 52%

Section: Experimental Techniquesmentioning

confidence: 89%

Section: Structuresmentioning

confidence: 96%

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Sr2V3O9an

Kaul¹,

Rösner

Yushankhai³

et al. 2003

Phys. Rev. B

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“…In isolated chains of corner-sharing distorted VO 6 octahedra, the “overbonded” character of oxygen with two short vanadyl bonds (i.e., VOV) should be avoided by introducing a cooperative displacement (Figure a). For similar reasons the P 2 1 space group was favored over P 2 1 / m for Ba 2 V 3 O 9 containing rutile-like vanadyl chains. , In the ac -plane the interchain cooperative displacement of the V 4+ cations within the V 3 O 9 layers should be imposed by the lattice translation. Otherwise, the unit cell would be quadrupled (i.e., 2 a × 2 c ), but this was not observed by XRD data (Figure b).…”

Section: Crystal Structure Determinationmentioning

confidence: 99%

Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb₂V₃O₉ and Pb₂As₂VO₉

2008

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The structures of Pb 2 V 3 O 9 and Pb 2 As 2 VO 9 were determined by X-ray diffraction to settle the issue concerning whether the arrangement of the V 4+ dO vanadyl bonds is ordered or disordered. The new crystal structure of Pb 2 V 3 O 9 refined by using a twinned crystal differs from the previous structure, determined from a combined use of powder X-ray and neutron diffraction data, and suggests an ordered Ferro arrangement of the V 4+ dO vanadyl bonds as does the Antiferro crystal structure of the new Pb 2 As 2 VO 9 . In Pb 2 V 3 O 9 , a triclinic f monoclinic transition is observed at 400°C, and the corresponding high temperature form was structurally characterized. The spin exchange interactions of Pb 2 V 3 O 9 and Pb 2 As 2 VO 9 were evaluated by performing qualitative spin dimer analysis based on tight binding calculations, and those of Pb 2 V 3 O 9 were also examined by quantitative mapping analysis based on density functional theory calculations. To a first approximation, the spin-lattice of Pb 2 V 3 O 9 is described by an alternating antiferromagnetic chain model, which is made up of the super-superexchange interactions mediated by VO 4 tetrahedra between adjacent chains of corner-sharing V 4+ O 6 octahedra. The magnetic property of Pb 2 As 2 VO 9 is predicted to be paramagnetic, in agreement with experiment.

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“…Beispiele hierfür sind C a(V 0)2(P 0 4)2 [ 17], /?-Sr(V 0)(A s04)2 [2], Sr2(V 0 )(V 0 4)2 [18, "19] Sr2(V 0 )(P 0 4 )2 [20]. 1 [V 04]-Ketten kantenverknüpfter V 0 5+1 -Polyeder zeigt Ba2(V 0 )(V 0 4 )2 [18,21].…”

Section: Ba-o (Lo )unclassified

Ba(VO)₄(AsO₄)₂(As₂O₇): Ein neues Divanadyl(IV)-Arsenat mit flächenverknüpften V₂O₈₊₁-Oktaederdoppeln / Ba(VO)₄ (AsO₄)₂ (As₂O₇): A New Divanadyl(IV)-Arsenate Containing Face Shared V₂O₈₊, Double Octahedra

Wadewitz¹,

Müller‐Buschbaum²

1997

Zeitschrift Für Naturforschung B

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A new alkaline earth vanadyl arsenate Ba(VO)4(AsO4)2(As2O7) has been synthesized by solid state reactions in closed quartz tubes. X-ray investigations led to orthorhombic symmetry, space group D162h-Pnma, α = 17.540(2), b = 7.6223(8), c = 11.0633(12) Å, Z = 4. The crystal structure is characterized by AsO4 single and As2O7 double tetrahedra and face shared asymmetric stretched V2O8+1, double octahedra, forming a network of polyhedra. The incorporated Ba2+ ions show 12-fold coordination by oxygen. Ba(VO)4(AsO4)2(As2O7) is the first vanadyl compound containing V2O8 divanadyl groups originating from face sharing stretched VO5+1 octahedra

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Kristallstrukturuntersuchung am Barium-Yanadyl-Vanadat: Ba₂(VO)V₂O₈ / Crystal Structure Investigation of the Barium Vanadyl-Vanadate: Ba₂(VO)V₂O₈

Cited by 15 publications

References 10 publications

Sr2V3O9an

Sr2V3O9an

Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb₂V₃O₉ and Pb₂As₂VO₉

Ba(VO)₄(AsO₄)₂(As₂O₇): Ein neues Divanadyl(IV)-Arsenat mit flächenverknüpften V₂O₈₊₁-Oktaederdoppeln / Ba(VO)₄ (AsO₄)₂ (As₂O₇): A New Divanadyl(IV)-Arsenate Containing Face Shared V₂O₈₊, Double Octahedra

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Kristallstrukturuntersuchung am Barium-Yanadyl-Vanadat: Ba2(VO)V2O8 / Crystal Structure Investigation of the Barium Vanadyl-Vanadate: Ba2(VO)V2O8

Cited by 15 publications

References 10 publications

Sr2V3O9an

Sr2V3O9an

Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9 and Pb2As2VO9

Ba(VO)4(AsO4)2(As2O7): Ein neues Divanadyl(IV)-Arsenat mit flächenverknüpften V2O8+1-Oktaederdoppeln / Ba(VO)4 (AsO4)2 (As2O7): A New Divanadyl(IV)-Arsenate Containing Face Shared V2O8+, Double Octahedra

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Kristallstrukturuntersuchung am Barium-Yanadyl-Vanadat: Ba₂(VO)V₂O₈ / Crystal Structure Investigation of the Barium Vanadyl-Vanadate: Ba₂(VO)V₂O₈

Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb₂V₃O₉ and Pb₂As₂VO₉

Ba(VO)₄(AsO₄)₂(As₂O₇): Ein neues Divanadyl(IV)-Arsenat mit flächenverknüpften V₂O₈₊₁-Oktaederdoppeln / Ba(VO)₄ (AsO₄)₂ (As₂O₇): A New Divanadyl(IV)-Arsenate Containing Face Shared V₂O₈₊, Double Octahedra