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We report the electrochemical performance of nanostructures of Na$_{0.66}$V$_4$O$_{10}$ as cathode material for rechargeable batteries. The Rietveld refinement of room temperature x-ray diffraction pattern shows the monoclinic phase with…

Neutron scattering has been used to investigate the crystal structure and lattice dynamics of superconducting Na0.3CoO2 1.4(H/D)2O, and the parent Na0.3CoO2 material. The structure of Na0.3CoO2 consists of alternate layers of CoO2 and Na…

The crystal structure determines many of the physical properties of oxide perovskites (ABO$_3$) and only a tiny modification of the lattice structure causes major changes in the functional properties through the interplay among spin,…

Resolving physical and chemical structures in the vicinity of a protostar is of fundamental importance for elucidating their evolution to a planetary system. In this context, we have conducted 1.2 mm observations toward the low-mass…

We have used electron and neutron powder diffraction to elucidate the structural properties of superconducting \NaD. Our measurements show that our superconducting sample exhbits a number of supercells ranging from ${1/3}a^{*}$ to…

In the crystal of K$_3$H(SO$_4)_2$, or K$_3$D(SO$_4)_2$, dimers (SO$_4)...$H$...$(SO$_4)$, or (SO$_4)...$D$...$(SO$_4)$, are linked by strong centrosymmetric hydrogen or deuterium bonds whose O$...$O length is $\approx 2.50$ {\AA}. We…

We present a pair distribution function (PDF) analysis from neutron diffraction data of the Ni$_{1-x}$V$_x$ alloy in the Ni-rich regime. Such structural study aims to clarify the origin of the magnetic inhomogeneities associated with the…

The atomic pair distribution functions (PDF) of four powder samples of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of pulsed neutron diffraction. The PDF is modelled using a full-profile fitting approach to…

The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…

We report 3D coherent diffractive imaging of Au/Pd core-shell nanoparticles with 6 nm resolution on 5-6 femtosecond timescales. We measured single-shot diffraction patterns of core-shell nanoparticles using very intense and short x-ray free…

We have investigated the structure of Co$_2$CO$_3$(OH)$_2$ using Density Functional Theory (DFT) simulations as well as Powder X-Ray Diffraction (PXRD) measurements on samples synthesized via deposition from aqueous solution. We consider…

A workflow is presented for performing pair distribution function (PDF) analysis of defected materials using structures generated from atomistic simulations. A large collection of structures, which differ in the types and concentrations of…

Single-phased La0.6Sr0.4Co1-yFeyO3-d (y = 0.2, 0.5, 0.8) nanorods exhibiting the rhombohedral perovskite-type phase were synthesized by a pore-wetting technique. We studied their chemical composition, crystal and electronic structures,…

Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…

A new approach to solve quasicrystalline atomic structures in 3-dimensional (3D) real space is presented: The atomic pair distribution function (PDF) of face centred icosahedral Ho9Mg26Zn65 [a(6D) = 2x5.18(3)A was obtained from in-house…

We present a detailed study of the local atomic and magnetic structure of the type-I multiferroic perovskite system (Sr,Ba)(Mn,Ti)O$_3$ using x-ray and neutron pair distribution function (PDF) analysis, polarized neutron scattering, and…

The crystal structures of the triangular lattice, layered anhydrous alums KCr(SO4)2, RbCr(SO4)2 and KAl(SO4)2 are characterized by X-ray and neutron powder diffraction at temperatures between 1.4 and 773 K. The compounds all crystallize in…

We performed neutron powder diffraction experiments on lithium imide Li2NH, and have proposed a revised crystal structure model. Li2NH has a face-centered cubic structure with a partially occupied hydrogen site. Of the possible crystal…

Numerous different crystal structures of Ta2O5 are reported in literature. Although experimentally and computationally obtained lattice parameters and mechanical properties are in excellent agreement there is a pronounced deviation when it…

In this work, we investigate the representative case of the homometallic Co ludwigite Co$^{2+}_2$Co$^{3+}$O$_2$BO$_3$ ($Pbam$ space group) with four distinct Co crystallographic sites [$M1$-$M4$] surrounded by oxygen octahedra. The…