We report magnetization and specific-heat measurements on polycrystalline samples of BaCdVO PO4 2 and show that this compound is a S=1 /2 frustrated square lattice with ferromagnetic nearest-neighbor J1 and antiferromagnetic next-nearest-neighbor J2 interactions. The coupling constants J1 −3.6 K and J2 3.2 K are determined from a fitting of the susceptibility data and confirmed by an analysis o...

It is shown that there is a dynamic lattice instability in the aristotype P63/m structure of A10(PO4)6F2 apatites containing divalent A-site Cd or Hg cations with (n - 1)d(10)ns(0) electronic configurations. The distortion to a low-symmetry P\bar{1} triclinic structure is driven by an electronic mechanism rather than from ionic size mismatch. Our theoretical work provides key insights into the ...

The increased production of biogas through the anaerobic digestion (AD) process has raised several concerns regarding management liquid digestate, which can present some environmental risks if not properly handled. Among different techniques to treat AD microalgae and cyanobacteria cultivation emerged as a sustainable approach valorizing digestate while producing valuable biomass for biofuels h...

The chloroapatite Eu5(PO4)3Cl has been synthesized by a solid-state reaction route using a salt flux. Its structure has been solved and refined from single crystal X-ray data: apatite type, P63/m, a = 988.36(4), c = 720.32(3) pm, Z = 2, R(F) = 0.021 and wR(F2) = 0.063 for 748 unique reflections and 40 variables. The Eu5(PO4)3Cl structure contains isolated (PO4)3− tetrahedra and two crystallogra...

The title compound, tetra-potassium tetra-[nickel(II)/iron(III)] penta-kis-(orthophosphate), K3.84Ni0.78Fe3.19(PO4)5, has been obtained from a flux. The structure is isotypic with that of K4MgFe3(PO4)5. The three-dimensional framework is built up from (Ni/Fe)O5 trigonal bipyramids with a mixed Fe:Ni occupancy of 0.799 (8):0.196 (10) and isolated PO4 tetra-hedra, one of which is on a general pos...

Src homology 2 (SH2) domains are composed of weakly conserved sequences of ∼100 aa that bind phosphotyrosines in signaling proteins and thereby mediate intra- and intermolecular protein-protein interactions. In exploring the mechanism whereby tyrosine phosphorylation of the erythrocyte anion transporter, band 3, triggers membrane destabilization, vesiculation, and fragmentation, we discovered a...

Possible changes in the oxidation state of the oxygen ion in the lithium iron phosphate Li3Fe2(PO4)3 at high voltages in lithium-ion (Li-ion) batteries are studied using experimental and computational analysis. Results obtained from synchrotron-based hard X-ray photoelectron spectroscopy and density functional theory (DFT) show that the oxidation state of O(2-) ions is altered to higher oxidati...

Potassium rubidium cobalt(II)/titanium(IV) tris-(orthophosphate), Rb0.743K0.845Co0.293Ti1.707(PO4)3, has been obtained using a high-temperature crystallization method. The obtained compound has a langbeinite-type structure. The three-dimensional framework is built up from mixed-occupied (Co/Ti(IV))O6 octa-hedra (point group symmetry .3.) and PO4 tetra-hedra. The K(+) and Rb(+) cations are stati...

Raman and infrared spectra on aqueous Na3PO4, and K3PO4 solutions have been measured. The modes of the PO4 species have been assigned on the basis of Td symmetry. The pK3 value of phosphoric acid has been determined by Raman spectroscopy. In addition ab initio calculations have been carried out on phosphate and phosphate-water clusters. Aqueous solutions of Na3PO4 (0.0060 – 0.592 mol/L) and K3P...