Publications related to Application of the superspace approach to members of the ferrite family

Local nonreflecting boundary condition for time-dependent multiple scattering

Starting from from a high-order local nonreflecting boundary condition (NBC) for single scattering [25], we derive a local NBC for time-dependent multiple scattering problems in three space dimensions, which is completely local both in space and time. To d ...

2011

Broken symmetries in macromolecular crystallography: phasing from unmerged data

The space-group symmetry of a crystal structure imposes a point-group symmetry on its diffraction pattern, giving rise to so-called symmetry-equivalent reflections. Instances in macromolecular crystallography are discussed in which the symmetry in reciproc ...

International Union of Crystallography2010

Maximal symmetrization and reduction of fields: Application to wave functions in solid-state nanostructures

Marc-André Dupertuis, Sascha Dalessi

A general formalism for the maximal symmetrization and reduction of fields (MSRFs) is proposed and applied to wave functions in solid-state nanostructures. Its primary target is to provide an essential tool for the study and analysis of the electronic and ...

2010

Preliminary crystallographic analysis of two oligomerization-deficient mutants of the aerolysin toxin, H132D and H132N, in their proteolyzed forms

Françoise Gisou van der Goot Grunberg

Aerolysin is a major virulence factor produced by the Gram-negative bacterium Aeromonas hydrophila and is a member of the beta-pore-forming toxin family. Two oligomerization-deficient aerolysin mutants, H132D and H132N, have been overproduced, proteolyzed ...

2010

Ab initio structure solution by iterative phase-retrieval methods: performance tests on charge flipping and low-density elimination

Thomas Alois Weber

Comprehensive tests on the density-modification methods charge flipping [Oszlanyi & Suto (2004). Acta Cryst. A60, 134-141] and low-density elimination [Shiono & Woolfson (1992). Acta Cryst. A48, 451-456] for solving crystal structures are performed on simu ...

2010

Synchrotron X-ray diffraction study on a single nanowire of PX-phase lead titanate

Nava Setter, Silviu Cosmin Sandu, Jin Wang

Synchrotron X-ray diffraction (XRD) measurements of Pb-Ti-O fine acicular crystals (nanowires) of the so-called PX-phase have been performed. The theta-2 theta patterns of the nanowires dispersed on substrates with two different geometries indicated that t ...

2010

Differential geometry applied to crystallography

Philippe Kocian

The mathematical facet of modern crystallography is essentially based on analytical geometry, linear algebra as well as group theory. This study endeavours to approach the geometry and symmetry of crystals using the tools furnished by differential geometry ...

EPFL2009

Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-N-oxide

The low-temperature structure of 4-methylpyridine-N-oxide was previously determined in symmetry P4(1) [Damay et al. (2006), Acta Cryst. B62, 627-633]. Using a recently published symmetry-determination method it was found that the true symmetry of the struc ...

2009

Phase transition, crystal structure, and magnetic order in VOCI

VOCI develops magnetic order below T-N=80.3(3) K. Employing single-crystal x-ray diffraction and powder neutron diffraction it is shown that the magnetic phase transition is accompanied by a small, temperature-dependent monoclinic lattice distortion with g ...

2009

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure

Gervais Chapuis, Alla Arakcheeva, Philip Pattison, Jorge Martinez Garcia

The previously proposed model postulating that the incommensurately modulated KNd(MoO

_4

)

_2

structure can act as a generator of the scheelite family members is validated here by refining the crystal structure of europium molybdate, Eu

_2

(MoO

_4

)

_3

. ...

2009

Application of the superspace approach to members of the ferrite family

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Local nonreflecting boundary condition for time-dependent multiple scattering

Broken symmetries in macromolecular crystallography: phasing from unmerged data

Maximal symmetrization and reduction of fields: Application to wave functions in solid-state nanostructures

Preliminary crystallographic analysis of two oligomerization-deficient mutants of the aerolysin toxin, H132D and H132N, in their proteolyzed forms

Ab initio structure solution by iterative phase-retrieval methods: performance tests on charge flipping and low-density elimination

Synchrotron X-ray diffraction study on a single nanowire of PX-phase lead titanate

Differential geometry applied to crystallography

Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-N-oxide

Phase transition, crystal structure, and magnetic order in VOCI

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure

Broken symmetries in macromolecular crystallography: phasing from unmerged data

Maximal symmetrization and reduction of fields: Application to wave functions in solid-state nanostructures

Preliminary crystallographic analysis of two oligomerization-deficient mutants of the aerolysin toxin, H132D and H132N, in their proteolyzed forms

Local nonreflecting boundary condition for time-dependent multiple scattering

Differential geometry applied to crystallography

Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-N-oxide

Ab initio structure solution by iterative phase-retrieval methods: performance tests on charge flipping and low-density elimination

Synchrotron X-ray diffraction study on a single nanowire of PX-phase lead titanate

Phase transition, crystal structure, and magnetic order in VOCI

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure