Local order of orthorhombic weberite-type Y3TaO7 as determined by neutron total scattering and density functional theory calculations✰
Igor M. Gussev, Eric C. O’Quinn, Gianguido Baldinozzi, Jörg Neuefeind, Rodney C. Ewing, Fuxiang Zhang, Maik Lang
Topics & Concepts
Orthorhombic crystal systemMaterials scienceCrystallographyNeutronPair distribution functionScatteringStoichiometryDensity functional theoryRietveld refinementNeutron diffractionNeutron scatteringMolecular physicsCrystal structureComputational chemistryChemistryPhysicsPhysical chemistryOpticsNuclear physicsQuantum mechanicsNuclear materials and radiation effectsAdvanced Condensed Matter PhysicsX-ray Diffraction in Crystallography