forthcoming articles in Journal of Applied Crystallography

The following articles are a selection of those recently accepted for publication in Journal of Applied Crystallography.

See also Forthcoming articles in all IUCr journals.

Accepted 24 July 2014

Mass-fractalic growth in niobia/ silsesquioxane mixtures: A SAXS study

R. Besselink and J. E. ten Elshof

Accepted 15 July 2014

High resolution synchrotron diffraction study of porous buffer InP(001) layers

A. A. Lomov, V. I. Punegov, D. Nohavica, M. A. Chuev, A. L. Vasiliev and D. V. Novikov

Synopsis: X-ray reciprocal space mapping was used for investigation porous InP layers. A new advanced statistical dynamical theory applied for numerical data evaluation provided quantitative values for the main structural parameters of porous layers.

Accepted 14 July 2014

Specular Neutron Reflection at the Mica Water Interface - Irreversible Adsorption of a Cationic Dichain Surfactant

K. L. Browning, L. R. Griffin, P. Gutfreund, R. D. Barker, L. A. Clifton, A. Hughes and S. M. Clarke

Synopsis: A novel experimental method to exploit specular neutron reflection from the surface of mica at the solid/liquid interface is reported. The approach involves supporting a thin mica crystal on a silicon substrate. The applicability of this technique for mica is demonstrated by adsorption of a dichain surfactant to form a complete, unhydrated bilayer at this interface and its partial removal by washing and ion exchange.

Accepted 8 July 2014

Crossing the boundary between fcc and hcp: the structure of nanosized cobalt is unraveled by a model allowing for shape, size distribution and stacking faults allowing simulation of XRD, XANES and EXAFS

A. Longo, L. Sciortino, F. Giannici and A. Martorana

Synopsis: 1ynopsis A structural model of nanosized cobalt is fitted to XRD data using the Debye equation. The model allows for shape, size distribution, atom pairs distance distribution and stacking faults. EXAFS and XANES spectra are calculated on the basis the fitted parameters.

Accepted 7 July 2014

Potential of full pattern fit methods for the texture analysis of geological materials: implications from texture measurements at the recently upgraded neutron time-of-flight diffractometer SKAT

R. Keppler, K. Ullemeyer, J. H. Behrmann and M. Stipp

Accepted 5 July 2014

The lipid cubic phase or in meso method for crystallizing proteins. Bushings for better manual dispensing

M. Caffrey, R. Eifert, D. Li and N. Howe

Synopsis: Table of Contents: Bushings that protect the plunger in a repeat dispenser device for more effective setting up of LCP crystallization trials are described.

Accepted 21 June 2014

X-ray absorption spectroscopy (XAS) studies on the carbothermal reduction reaction products of 3 mol% yttria stabilized zirconia

A. Sondhi, O. Okobiah, S. Chattopadhyay, T. Shibata, T. W. Scharf and R. F. Reidy

Synopsis: X-ray absorption spectroscopy (XAS) has been used to study the fine structure details of carbothermally-reduced 3 mol% YSZ and understand the effect of sintering on various bond lengths in the starting powder and its sintered counterpart. Influence of ZrC formation on the YSZ matrix was determined with help of x-ray diffraction and XAS. Bond lengths were deduced from the EXAFS pattern of carbothermally reduced sample and compared with those of the pure standards.

Accepted 21 June 2014

Structural Analysis of Lignin-derived Carbon Composite Anodes

N. W. McNutt, O. Rios, M. Feygenson, T. E. Proffen and D. J. Keffer

Synopsis: Lignin-based carbon composite anodes consisting of nanocrystalline and amorphous domains are studied to develop a relationship of structural properties such as crystallite size, intracrystallite d-spacing, crystalline volume fraction, and composite density with their pair distribution functions (PDF), as obtained from both molecular dynamics simulation and neutron scattering.

Accepted 21 June 2014

MolBridge: A program for identifying non-bonded interactions in small molecules and biomolecular structures

P. Kumar, S. Kailasam, S. Chakraborty and M. Bansal

Synopsis: A freely available program dedicated to the identification of non-bonded interactions in small molecules as well as biomolecules is introduced. The stand-alone version of the program is currently available for download. The web server can be accessed at

Accepted 20 June 2014

The structure of casein micelles: A review of small angle scattering data

C. G. De Kruif

Accepted 19 June 2014

Rhombohedral distortion analysis of ultrathin Pt(111) films deposited under Ar-N2 atmosphere

T. Harumoto, T. Sannomiya, S. Muraishi, J. Shi and Y. Nakamura

Synopsis: A rhombohedral analysis method for analysing a lattice distortion in (111) textured face-centered cubic (fcc) film under rotationally symmetric stress is proposed and applied to ultrathin Pt films deposited under argon-nitrogen atmosphere.

Accepted 18 June 2014

On the calibration of high-energy X-ray diffraction setups II. Assessing the rotation axis and residual strains

A. Borbély, L. Renversade and P. Kenesei

Synopsis: The calibration of a high energy diffractometer comprising a rotation axis and an area detector is assessed. An independent method for high-accuracy determination of the cell parameters of undeformed crystals is introduced.

Accepted 18 June 2014

The correlation functions of the regular tetrahedron and octahedron

S. Ciccariello

Synopsis: The algebraic expressions of the correlation functions of the regular tetrahedron and octahedron are presented.

Accepted 16 June 2014

Comparison between a near-field and a far-field indexing approach for characterization of a polycrystalline sample volume containing more than 1500 grains

L. Nervo, A. King, J. P. Wright, W. Ludwig, P. Reischig, J. Quinta da Fonseca and M. Preuss

Synopsis: A polycrystalline commercially pure sample of titanium has been measured using near-field and far-field three-dimensional X-ray diffraction techniques. The indexing results obtained with two different software packages (DCT and ImageD11) are compared.

Accepted 13 June 2014

A simple approach to determine the polarization coefficient at synchrotron radiation stations

S. Sulyanov, P. Dorovatovskii and H. Boysen

Synopsis: The polarization coefficient is determined with a two-dimensional area detector via a cosine interpolation of the azimuthal dependence of the intensity variation at a constant diffraction angle.

Accepted 11 June 2014

Neutron and synchrotron probes in the development of Co-Re-based alloys for next generation gas turbines with an emphasis on the influence of boron additives

D. Mukherji, R. Gilles, L. Karge, P. Strunz, P. Beran, H. Eckerlebe, A. Stark, L. Szentmiklosi, Z. Mácsik, G. Schumacher, I. Zizak, M. Hofmann, M. Hoelzel and J. Rösler

Accepted 10 June 2014

The strongly defective double perovskite Sr11Mo4O23: crystal structure in relation to ionic conductivity

C. A. López, J. C. Pedregosa, D. G. Lamas and J. A. Alonso

Synopsis: This article presents a new microcrystalline Sr11Mo4O23 material with a strongly defective structure resulting from oxygen vacancies and broken corner-sharing connectivity in the octahedral framework. The ionic conductivity is considerably activated after the reversible process of removal/uptake of O atoms.

Accepted 8 June 2014

A new approach for probing matter in periodic nanoconfinements using neutron scattering

R. Ashkar, R. Pynn, R. Dalgliesh, N. V. Lavrik and I. I. Kravchenko

Synopsis: Spin-echo small-angle neutron scattering is used to measure the average density of a charge-stabilized colloidal silica suspension confined in an array of channels whose width is a few times the particle diameter. The particle density in the channels is almost twice that in the neighboring colloidal fluid and is consistent with the particles organizing in close-packed sheets parallel to the channel walls.

Accepted 6 June 2014

Site-specific electronic structures of ferrimagnetic Fe3O4 measured by resonant X-ray magnetic scattering

M. Okube and S. Sasaki

Synopsis: Resonant X-ray magnetic scattering has revealed the site-specific magnetic moments at two non-equivalent Fe ion sites in Fe3O4.

Accepted 4 June 2014

Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species

V. M. Mendes do Prado, R. C. Cardoso Seiceira, A. Pitaluga Jr, T. Andrade-Filho, W. A. Andrade Alves, A. Reily Rocha and F. F. Furlan Ferreira

Synopsis: The crystal structure of hydrated (±)-mefloquine hydrochloride is determined by an ab initio algorithm (simulated annealing) using X-ray powder diffraction data and confirmed by a combination of theoretical calculations and Fourier transform-infrared spectroscopy.

Accepted 4 June 2014

All-diamond optical assemblies for a beam-multiplexing X-ray monochromator at the Linac Coherent Light Source

S. Stoupin, S. A. Terentyev, V. D. Blank, Y. V. Shvyd'ko, K. Goetze, L. Assoufid, S. N. Polyakov, M. S. Kuznetsov, N. V. Kornilov, J. Katsoudas, R. Alonso-Mori, M. Chollet, Y. Feng, J. M. Glownia, H. Lemke, A. Robert, M. Sikorski, S. Song and D. Zhu

Synopsis: All-diamond optical assemblies holding state-of-the-art type IIa diamond crystals enable the construction of a beam-multiplexing X-ray double-crystal monochromator for hard X-ray free-electron lasers. Details on the design, fabrication and X-ray diffraction characterization of the assemblies are reported.

Accepted 31 May 2014

Texture analysis with a time-of-flight neutron strain scanner

F. Malamud, J. R. Santisteban, M. A. Vicente Alvarez, R. Bolmaro, J. Kelleher, S. Kabra and W. Kockelmann

Synopsis: Diffraction experiments on a time-of-flight neutron strain scanner allow for nondestructive measurement of bulk texture within metallic components with ~1 mm spatial resolution.

Accepted 30 May 2014

In situ microfluidic dialysis for biological small-angle X-ray scattering

M. Skou, S. Skou, T. G. Jensen, B. Vestergaard and R. E. Gillilan

Synopsis: A remote-controlled microfluidic device for protein solution concentration and buffer exchange, simultaneous with small-angle X-ray scattering and ultraviolet absorption measurements, is presented.

Accepted 30 May 2014

Composition-dependent magnitude of atomic shuffles in Ti-Nb martensites

M. Bönisch, M. Calin, L. Giebeler, A. Helth, A. Gebert, W. Skrotzki and J. Eckert

Synopsis: Rietveld analyses of X-ray data were used to study the atomic arrangements in the hexagonal and orthorhombic martensites of the Ti-Nb system.

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