Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2.cntdot.4H2O (A = Co, Ca, Sr, Pb)

Kang, H. Y.; Lee, W. C.; Wang, S. L.; Lii, Kwang Hwa

doi:10.1021/ic00049a007

Cited by 73 publications

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“…For example, one can consider the A(VOPO 4 ) 2 ·4H 2 O compounds (A = Ca, Cd, Sr, Pb, Ba, and Mg/Zn) 58,59,60,61,62,63,64,65 that reveal layered structures with [VOPO 4 ] layers separated by metal cations and water molecules. The resulting symmetry is orthorhombic, monoclinic, or even triclinic, but the respective spin lattice distortion should be weak.…”

Section: Discussion and Summarymentioning

confidence: 99%

Extension of the spin-12frustrated square lattice model: The case of layered vanadium phosphates

2009

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We study the influence of the spin lattice distortion on the properties of frustrated magnetic systems and consider the applicability of the spin-1/2 frustrated square lattice model to materials lacking tetragonal symmetry. We focus on the case of layered vanadium phosphates AA VO(PO4)2 (AA = Pb2, SrZn, BaZn, and BaCd). To provide a proper microscopic description of these compounds, we use extensive band structure calculations for real materials and model structures and supplement this analysis with simulations of thermodynamic properties, thus facilitating a direct comparison with the experimental data. Due to the reduced symmetry, the realistic spin model of layered vanadium phosphates AA VO(PO4)2 includes four inequivalent exchange couplings: J1 and J 1 between nearest-neighbors and J2 and J 2 between next-nearest-neighbors. The estimates of individual exchange couplings suggest different regimes, from J 1 /J1 and J 2 /J2 close to 1 in BaCdVO(PO4)2, a nearly regular frustrated square lattice, to J 1 /J1 0.7 and J 2 /J2 0.4 in SrZnVO(PO4)2, a frustrated square lattice with sizable distortion. The underlying structural differences are analyzed, and the key factors causing the distortion of the spin lattice in layered vanadium compounds are discussed. We propose possible routes for finding new frustrated square lattice materials among complex vanadium oxides. Full diagonalization simulations of thermodynamic properties indicate the similarity of the extended model to the regular one with averaged couplings. In case of moderate frustration and moderate distortion, valid for all the AA VO(PO4)2 compounds reported so far, the distorted spin lattice can be considered as a regular square lattice with the couplings (J1 + J 1 )/2 between nearest-neighbors and (J2 + J 2 )/2 between next-nearest-neighbors.

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Section: Discussion and Summarymentioning

confidence: 99%

Extension of the spin-12frustrated square lattice model: The case of layered vanadium phosphates

2009

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“…Interestingly, this compound was found to be isostructural to Ca-(VOPO 4 ) 2 ·4H 2 O. [14] In the Cd(VOPO 4 ) 2 ·4H 2 O structure, phosphate groups are characterized by four similar P-O distances. The vanadium ion in Cd(VOPO 4 ) 2 ·4H 2 O is in the +IV oxidation state: The short V=O bonds were identified to be vanadyl bonds and the equatorial bonds range from 1.9803 (43) …”

Section: Resultsmentioning

confidence: 93%

“…Lamellar vanadium phosphates are of interest owing to their ability to intercalate organics, [8][9][10] alkali, [11][12][13] alkaline earth metal ions, [14,15] or transition metal (TM) ions. [14,[16][17][18][19] In these compounds, vanadium phosphate layers shift in respect to the adjacent ones with sequences depending on the intercalated species.…”

Section: Introductionmentioning

confidence: 99%

“…[14,[16][17][18][19] In these compounds, vanadium phosphate layers shift in respect to the adjacent ones with sequences depending on the intercalated species. The coordinating positions of intercalated species and the distortion of vanadium phos- phate (VPO) layers have been described previously by Roca et al but the shifts and the stacking sequences have not been explained so far.…”

Section: Introductionmentioning

confidence: 99%

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Analysis and Prediction of Stacking Sequences in Intercalated Lamellar Vanadium Phosphates

et al. 2015

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International audienceAn approach is presented that enables the analysis and prediction of stacking sequences in intercalated lamellar vanadium phosphates. A comparison of previously reported vanadium phosphates reveals two modes of intercalation: (i) 3d transition metal ions intercalated between VOPO4 layers and (ii) alkali/alkaline earth metal ions between VOPO4·H2O layers. Both intercalations were investigated using DFT calculations in order to understand the relative shifts of the vanadium phosphate layers. These calculations in addition to an analysis of the stacking sequences in previously reported materials enable the prediction of the crystal structures of Mx(VOPO4)·yH2O (M = Cs+, Cd2+ and Sn2+). Experimental realization and structural determination of Cd(VOPO4)2·4H2O by single-crystal X-ray diffraction confirmed the predicted stacking sequences

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“…Given the layered nature of these structures it seems likely that a number of polytypes may exist in nature, their occurrence being controlled by cation stoichiometry and conditions of crystallization. Roca et al (1997) prepared Ba(VOP04)2-4H20 ( under acidic conditions (pH I -2) (Kang et al, 1992;Roca et al, 1997;Ayyappan et al, 1998) or via direct redox intercalation reactions of VOP04.2H20 in metal iodide solutions (Jacobson et al,1985). At the Spring Creek Mine milder conditions of formation are indicated and supergene or low temperature late-stage hydrothermal conditions are probable.…”

Section: Relationship To Other Minerals and Compoundsmentioning

confidence: 99%

Bariosincosite, a New Hydrated Barium Vanadium Phosphate, from the Spring Creek Mine, South Australia

Pring

1999

Mineralogical Magazine

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(420, 332,116). These data were indexed on a tetragonal cell, with , , 3 a = 9.031 (6), c = 12.755(8) A and V = 1040(1) A ; the space group is probably P4/n or P4/nmm. For Z = 4 and using the empirical formula, the calculated density is 3.306 gm/cm3. Bariosincosite is uniaxial negative with (J) = 1.721(2) and E = 1.715(2) (white light); pleochroism is weak from colourless (E) to pale green (0), absorption 0 > E. The mineral is named for the relationship to sincosite, Ca(y4+OP04hAH20.

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Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2.cntdot.4H2O (A = Co, Ca, Sr, Pb)

Cited by 73 publications

References 0 publications

Extension of the spin-12frustrated square lattice model: The case of layered vanadium phosphates

Extension of the spin-12frustrated square lattice model: The case of layered vanadium phosphates

Analysis and Prediction of Stacking Sequences in Intercalated Lamellar Vanadium Phosphates

Bariosincosite, a New Hydrated Barium Vanadium Phosphate, from the Spring Creek Mine, South Australia

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