Gwilherm Nénert

• PhD
• Principal scientist at Malvern Panalytical

We report on thesynthesis and structural characterization of a new naproxen salt. In-situheating X-ray diffraction experiment allows us to determine the phase stabilityof the various polymorphic phases. Slow heating rate and repetitive scansstrategy were essential to probe all phases in presence. Contrary to previouslyreported absence of polymorphi...

A phase of silver iodate, γ−AgIO3, has been obtained at ambient temperature by compressing α−AgIO3 to 1.60(5) GPa. The γ−AgIO3 crystal structure was identified via Rietveld refinement of high-pressure powder synchrotron x-ray diffraction. The γ−AgIO3 reflections were indexed to an orthorhombic lattice (Pbca) with unit-cell dimensions of a=7.2945(12...

A new polymorphic form of sodium selenite pentahydrate is reported in this contribution. We determined its crystal structure from laboratory powder diffraction data recorded at room temperature. It crystallizes in the monoclinic system P21/n with Z = 4. The lattice parameters are a = 15.01473(16) Å, b = 7.03125(7) Å, c = 8.13336(10) Å, β = 98.4458(...

Several metal-organic frameworks excel in harvesting water from the air or as heat pumps as they show a steep increase in water uptake at 10-30 RH%. A precise understanding of which structural characteristics govern such behaviour is lacking. Herein we studied CAU-10-H and CAU-10-CH3 with -H, -CH3 corresponding to the functions grafted to the organ...

Molecular sieving membranes with uniform pore size are highly desired for carbon dioxide separation. All-silica zeolite membranes feature well-defined micropores, but the size-exclusion effect is significantly compromised by the non-selective macro-pores generated during detemplation. Here we propose a template modulated crystal transition (TMCT) a...

Synthetic and naturally occurring forms of tricopper orthotellurate, CuII3TeVIO6 (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, CuII3TeVIO6 is shown to occur in two polytypes. The higher...

The previously unknown crystal structure of pingguite was determined and refined from laboratory X-ray powder diffraction data using a synthetic sample. Additional single crystal diffraction of natural pingguite confirms that the crystal structure of the synthetic sample is identical to the natural mineral. This new crystal structure calls for a re...

We have investigated the crystal structure of the synthetic analogue of the mineral iwateite using powder diffraction and Raman spectroscopy. Na2BaMn(PO4)2 crystallizes in the space group P-3m1 (No. 164) with cell parameters a = 5.37292(1) Å, and c = 7.09538(1) Å (Rwp = 5.7%, V = 177.38 Å3, Z = 1). The space group assignment is supported by the exp...

X-ray diffraction, scattering and imaging are powerful tools for the study of battery materials [1, 2]. In this work we describe several X-ray methods, which can provide a wealth of information about new materials used in battery applications. By using X-ray diffraction (XRD) it is possible to identify the different crystallographic phases, and wit...

The high-pressure behavior of Fe(IO3)3 was studied up to 35 GPa using powder x-ray diffraction, infrared micro-spectroscopy, and ab-initio density-functional theory calculations. Fe(IO3)3 shows a pressure-induced structural phase transition at 15 - 22 GPa. Powder x-ray diffraction was employed to obtain the structure of the high-pressure phase. Thi...

Synthetic chalcomenite-type cupric selenite CuSeO 3 ·2H 2 O has been studied at room temperature under compression up to pressures of 8 GPa by means of single-crystal X-ray diffraction, Raman spectroscopy, and density-functional theory. According to X-ray diffraction, the orthorhombic phase undergoes an isostructural phase transition at 4.0(5) GPa...

Synthetic chalcomenite-type cupric selenite CuSeO3∙2H2O has been studied at room temperature under compression up to pressures of 8 GPa by means of single-crystal X-ray diffraction, Raman spectroscopy, and density-functional theory. According to X-ray diffraction, the orthorhombic phase undergoes an isostructural phase transition at 4.0(5) GPa with...

The PDF technique utilizes a Fourier transformation of the X-ray powder diffraction (XRPD) data and gives information about the inter-atomic distances of the material. The accuracy of this assessment of inter-atomic distances depends strongly on the energy of the utilized radiation source and the possibility to correct for aberrations from the inst...

Variation of relative humidity (rH) greatly affects the internal order of solvent-based protein crystals, and the rearrangement of molecules can be efficiently recorded in distinct diffraction patterns. This study focuses on this topic, reporting the effect of rH variation experiments on hen egg white lysozyme (HEWL) polycrystalline precipitates of...

The effect of relative humidity (rH) on protein crystal structures, an area that has attracted high scientific interest during the past decade, is investigated in this study on hen egg-white lysozyme (HEWL) polycrystalline precipitates via in situ laboratory X-ray powder diffraction (XRPD) measurements. For this purpose, HEWL was crystallized at ro...

The rare mineral kalistrontite, K2Sr(SO4)2, has been discovered in exceptional quantities in exploration boreholes targeting Permian polyhalite [K2Ca2Mg(SO4)4·2(H2O)]-bearing evaporite deposits in North Yorkshire, U.K. The kalistrontite is associated with anhydrite, polyhalite, halite, magnesite, and traces of celestine in the Fordon (Evaporite) Fo...

The simplicity of XRPD data collection and the uniqueness of the diffraction pattern that each polymorph shows, marks powder diffraction as the most suitable technique for quick and accurate characterization of microcrystalline suspensions. However, for protein samples, the intense synchrotron beam for ultrahigh-resolution XRPD data collection, typ...

The previously unknown crystal structure of sodium strontium vanadate, NaSrVO\(_4\), is determined and refined from laboratory X-ray powder diffraction data. The title compound exhibits the larnite \(\beta\text{-}\textrm{Ca}_2\textrm{SiO}_4\) structure. This is the first report of such chemistry \(\textrm{A}^{I}\textrm{B}^{II}\textrm{XO}_{4}\), whi...

We report the synthesis and the crystal structure of the new vanadate AgCaVO4 from laboratory powder X-ray data. Contrary to the previously reported AgBVO4 (B=Mg, Cd), AgCaVO4 exhibits the arcanite structure (β-K2SO4). Although it exhibits the same structure than arcanite, significant differences are observed. These differences are explained by der...

SrFe0.25Co0.75O2.63 was synthesized by a solid-state reaction. Its structural study at room temperature using conventional X-ray as well as neutron powder diffraction, electron diffraction and high-resolution transmission electron microscopy is presented. An oxygen-vacancy ordering related to the "314" model known for the Sr3Y1Co4O10.5 oxide is pro...

Viral proteases are proteolytic enzymes that orchestrate the assembly of viral components during the viral life cycle and proliferation. Here, the expression, purification, crystallization and preliminary X-ray diffraction analysis are presented of protease 3C, the main protease of an emerging enterovirus, coxsackievirus B3, that is responsible for...

Humidity Induced Phase Transitions of HEWLysozyme T. Degen, D. Beckers, G. Nénert: PANalytical B.V., Almelo, The Netherlands S. Saslis, S. Logotheti, F. Karavassili, A.Valmasb, I. Margiolaki: University of Patras, Greece S. Trampari: Kapodistrian University of Athens, Greece Proteins often crystallize in microcrystalline precipitates. The protein...

Proteins often crystallize in microcrystalline precipitates. The protein molecules are then surrounded by solvent and their packing arrangement is retained by limited intermolecular contacts. A change in the crystal environment first affects the bulk solvent that fills the intermolecular space, with resulting changes in the crystal structure. In li...

Viral proteases 3C (3Cpro) are proteolytic enzymes of high importance for viral life cycle. Here we present the expression, purification, crystallization and preliminary X-ray powder diffraction (XRPD) analysis of 3Cpro, from an important RNA virus, Coxsackievirus B3 (CVB3), responsible for many cases of viral myocarditis. Due to the significant ro...

While magnetoelectric materials have been extensively investigated in the recent years, these research efforts have been mostly dedicated to oxides. One of the key requirements to be able to measure any electrical polarization is the existence of a good insulating ground state. This requirement is often not met in oxides giving rise to nonnegligibl...

In this article we report on a detailed analysis of the magnetic structures of the magnetic phases of the low temperature (lt-) phase of Mn3(VO4)2 (= Mn3V2O8) with Kagome staircase structure determined by means of powder neutron diffraction. Two magnetic transitions were found at ~ 25 K (HT1 phase, Cmc'a') and ~ 17 K (LT1 phase, Pmc'a'), in excelle...

We have reinvestigated the crystal structure of the low-dimensional fluoride $\beta$-FeF$_3(H_2O)_2\cdot$H$_2$O using high resolution neutron and X-ray diffraction data. Moreover we have studied the magnetic behavior of this material combining medium resolution and high flux neutron powder diffraction together with magnetic susceptibility measureme...

Humidity ; Powder Diffraction; XRPD

We report on a microscopic study of the evolution of ferromagnetism in the Ru substituted ferromagnetic superconductor (FM SC) UCoGe crystallizing in the orthorhombic TiNiSi-type structure. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge have been prepared and characterized by magnetization, AC susceptibil...

We report on microscopic study of the ferromagnetism enhancement in the Ru doped ferromagnetic superconductor (FM SC) UCoGe. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge were prepared. Both single crystals were investigated by polarized neutron diffraction (PND) at low temperatures in magnetic fields an...

The magnetism of magnetoelectric $S=\frac{3}{2}$ pyroxenes ${\mathrm{LiCrSi}}_{2}{\mathrm{O}}_{6}$ and ${\mathrm{LiCrGe}}_{2}{\mathrm{O}}_{6}$ is studied by density functional theory calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low- and high-field magnetization measurements. In contrast with earlier papers, w...

HighScore with the Plus option (HighScore Plus) is the commercial powder diffraction analysis software from PANalytical. It has been in constant development over the last 13 years and has evolved into a very complete and mature product. In this paper, we present a brief overview of the suite focusing on the latest additions and its user-friendlines...

We have investigated the crystal and magnetic structures of the trigonal iron-boracite Fe3B7O13X with X = OH by neutron diffraction. Neutron diffraction enables us to locate the hydrogen atom of the hydroxyl group and determine the magnetic ground state of this member of the multiferroic boracite family. No evidence was found for a monoclinic disto...

PbMn0.5Al0.5BO4, orthorhombic, Pnam (no. 62), a =6.88207(22) Å, b =8.26813(31) Å, c =5.84767(20) Å, V =332.74 Å 3 , Z =1,R p =0 .0381(i),0 .0458(ii), 0.0505(iii), R wp =0.0491(i), 0.0676(ii), 0.0677(iii), T =298 K. Source of material Since none of the reported solid state routes [1-3] were successful to produce pure PbAl 0.5 Mn 0.5 BO 4 ,weused the...

PANalytical believes that a crystallographic education is essential towards developing novel materials, finding innovative solutions for dealing with the scarcity of natural resources, managing global population growth and addressing climate change. PANalytical therefore strongly supports IYCr2014 organizing `OpenLabs': crystallographic education i...

We report on a magnetic and structural investigation of layered antiferromagnetic system vanadium (III) fluoride. VF3 crystallizes in a distorted ReO3 structure (R-3c) with rotated undistorted VF6 octahedra. The V3+ cations are arranged in a triangular lattice with the possibility of exhibiting magnetic frustration. Polycrystalline samples of VF3 w...

We report on the performance of the first diamond neutron monochromator built at the ILL. It has been designed for the hot neutron diffractometer D9 with the aim of improving significantly the instrument performance in particular for short wavelengths in the 0.3-0.9 Å wavelength range. Diamond crystal plates with dimensions of 1.5 x 1.5 x 0.18 cm3...

UCoGe is an archetype of coexisting weak itinerant 5f-electron ferromagnetism (TC ∼ 3 K, μs = 0: 03μB/f.u.) and superconductivity (TSC ∼ 0.6 K) at ambient pressure. The Ru substitution for Co leads to an initial sharp increase of the TC up to the maximum of TC = 8.5 K for x = 0.12, increase of spontaneous magnetic moment and suppression of supercon...

We performed neutron single-crystal and synchrotron x-ray powder diffraction experiments in order to investigate the magnetic and crystal structures of the conductive layered triangular-lattice antiferromagnet PdCrO2 with a putative spin chirality, which contributes to an unconventional anomalous Hall effect. We revealed that the ground-state magne...

The magnetism of magnetoelectric $S$ = 3/2 pyroxenes LiCrSi$_2$O$_6$ and LiCrGe$_2$O$_6$ is studied by density functional theory (DFT) calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low-field and high-field magnetization measurements. In contrast with earlier reports, we find that the two compounds feature rema...

The crystal structure of a natural davyne [(Na3.98K1.79Ca1.89Mg0.02Fe0.01)∑7.69(Al5.99Si6.01O24)(SO4)0.65Cl1.96, a = 12.7908(5) Å, c = 5.3469(2) Å and V = 757.59(6) Å3, space group P63], its thermoelastic behaviour and low-temperature induced structural evolution have been investigated by single-crystal neutron diffraction and in situ single-crysta...

The crystal chemistry of a meso-octahedral Li,Be-bearing mica from the Harding pegmatite (Dixon, Taos County, New Mexico, USA) has been investigated by constant-wavelength single-crystal neutron diffraction at 20 K, single-crystal X-ray diffraction at 100 K and inductively coupled plasma-atomic emission spectrometry (ICP-AES). The chemical composit...

Large crystals of Bi2M4O9 (M = Fe, Ga) were examined by single-crystal neutron diffraction at the Institut Laue Langevin (ILL) in Grenoble. The crystal structures of these bismuth metal oxides are commonly described as mullite-type compounds in space group Pbam. However, up to several hundreds of reflections were observed in both compounds with sig...

The ordering of cations within the perovskite structure can have a profound effect on the physical properties. A number of AA'BB'O 6 perovskite phases which have both a rock salt ordering of the B/B' cations and a layered ordering of the A/A' cations have recently been prepared and studied. In some of these compositions complex nanoscale superstruc...

We report on the structural characterization of the mullite-type PbAl 1–x Mn x BO 4 series using neutron, synchrotron and in-house X-ray powder diffraction, Raman spectroscopy and density functional theory (DFT) calculations. The planar geometry of the BO 3 group changes only slightly over the whole composition range. The rigid BO 3 group plays the...

We report on the structural characterization of the mullite-type PbAl1–xMnxBO4 series using neutron, synchrotron and in-house X-ray powder diffraction, Raman spectroscopy and density functional theory (DFT) calculations. The planar geometry of the BO3 group changes only slightly over the whole composition range. The rigid BO3 group plays the domina...

UCoGe is an archetypal 5f-electron ferromagnet (T C ~ 3K) which becomes superconducting at ambient pressure (T SC ~ 0.6K). The low values of T C and the spontaneous magnetic moment of 0.03μ B /f.u. indicate nearness of a ferromagnetic instability. We have prepared a series of UCo 1-x Ru x Ge polycrystalline samples and studied development of the ma...

The crystal structure and magnetic properties of the RbMnPO4 zeolite-ABW-type material have been studied by temperature-dependent neutron powder diffraction, low-temperature magnetometry, and heat capacity measurements. RbMnPO4 represents a rare example of a weak ferromagnetic polar material, containing Mn(2+) ions with TN = 4.7 K. The neutron powd...

The crystal structure and magnetic properties of the RbMnPO4 zeolite-ABW type material have been studied by temperature-dependent neutron powder diffraction, low temperature magnetometry and heat capacity measurements. RbMnPO4 represents a rare example of a weak ferromagnetic polar material, containing Mn2+ ions with TN = 4.7 K. The neutron powder...

The crystal chemistry of eosphorite from Chamachhu (Skardu District, Baltistan, Pakistan) [(Mn2+0.94Fe2+0.06Al0.01)∑1.01AlPO4(OH1.90F0.10)∑2·H2O, a = 6.9263(4), b = 10.4356(8), c = 13.5234(10) Å, V = 977.5(1) Å3, space group Cmca, Z = 8], has been reinvestigated by means of electron microprobe analysis in wavelength-dispersive mode and single-cryst...

UCoGe is an archetype of coexisting weak itinerant 5f -electron ferromagnetism (TC ∼ 3 K, µs = 0.03µB/f.u.) and superconductivity (TSC ∼ 0.6 K) at ambient pressure. The Ru substitution for Co leads to an initial sharp increase of the TC up to the maximum of TC = 8.5 K for x = 0.12, increase of spontaneous magnetic moment and suppression of supercon...

Magnetism in SmPd2Al3 was investigated on a single crystal by magnetometry and neutron diffraction. SmPd2Al3 represents a distinctive example of a Sm magnetism exhibiting complex magnetic behavior at low temperatures with four consecutive magnetic phase transitions at 3.4, 3.9, 4.4, and 12.5 K. The rich magnetic phase diagram of this compound refle...

Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3–xTiO3 perovskites (x = 0.05, superspace gro...

Magnetism in SmPd2Al3 was investigated on a single crystal by magnetometry and neutron diffraction. SmPd2Al3 represents a distinctive example of the Sm magnetism exhibiting complex magnetic behavior at low temperatures with four consecutive magnetic phase transitions at 3.4, 3.9, 4.3 and 12.5 K. The rich magnetic phase diagram of this compound refl...

The crystal structure of a natural triclinic talc (1Tc polytype) [with composition: (Mg2.93Fe0.06)Σ2.99(Al0.02Si3.97)Σ3.99O10(OH)2.10] has been investigated by single-crystal X-ray diffraction at 223 and 170 K and by single-crystal neutron diffraction at 20 K. Both the anisotropic X-ray refinements (i.e. at 223 and 170 K) show that the two independ...

The crystal and magnetic structures of the organic-inorganic hybrid compound Cr(II) ammoniumethylphosphonate chloride monohydrate, Cr[D(3)N-(CH(2))(2)-PO(3))(Cl)(D(2)O)] (1), have been studied by temperature-dependent neutron powder diffraction and superconducting quantum interference device (SQUID) magnetometry. The compound represents a rare exam...

We report on strontium doped dibismuth-nonaoxoaluminate(III) produced at 1023 K. Partial substitution of bismuth by strontium in the structure yields oxygen vacancies for charge balance. Introducing oxygen vacancies rearranged the associated Al 2 O 7 double-tetrahedra forming ''Al 3 O 10 '' tri-clusters which were identified by multi-quantum 27 Al...

We report the observation of multiferroicity in a clinopyroxene NaFeGe(2)O(6) polycrystal from the investigation of its electrical and magnetic properties. Following the previously known first magnetic transition at T(N1) = 13 K, a second magnetic transition appears at T(N2) = 11.8 K in the temperature dependence of the magnetization. A ferroelectr...

The structures of the title perovskites are investigated by TEM, SAED, neutron, and synchrotron X-ray powder diffraction.

We report on the evolution of magnetic properties in the PrNi1−xCuxAl series investigated by measurements of magnetization, AC susceptibility, specific heat, and powder neutron diffraction. For compounds with a low Cu content, we observe antiferromagnetic incommensurate structures characterized by propagation vector k = (1/20q) having q = 0.416 ± 0...

The structures of the doubly ordered perovskites NaCeMnWO(6) and NaPrMnWO(6), with rock salt ordering of the Mn(2+) and W(6+)B-site cations and layered ordering of the Na(+) and (Ce(3+)/Pr(3+)) A-site cations, have been studied by transmission electron microscopy, electron diffraction, neutron and synchrotron X-ray powder diffraction. Both compound...

A part of the pseudo-binary join Bi2O3– Bi2Mn4O10of the ternary system Bi2O3– MnO – MnO2was examined using thermo-analytical methods. Because Bi2Mn4O10melts incongruently single crystals of up to 20 mm in diameter were grown by the top seeded solution growth method in the temperature range from about 1223 K to 1173 K. Single crystal neutron diffrac...

The chromium(II) orthophosphate {\alpha}-Cr3(PO4)2 is a weak ferrimagnet with the Curie temperature TC = 29 K confirmed by a \lambda-type peak in specific heat. Dominant antiferromagnetic interactions in this system are characterized by the Weiss temperature {\Theta} = - 96 K, indicating an intermediate frustration ratio |{\Theta}|/TC ~ 3. In its m...

In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as density functional theory (DFT) calculations and quantum Monte Carlo (QMC) simulations. The data reveal that t...

Electron, neutron, and synchrotron X-ray diffraction together with transmission electron micro-scopy studies reveal the spontaneous formation of a complex superlattice in bulk samples of the perovskite KLaMnWO 6 . The superlattice structure, which possesses P42m space group symmetry with a = 40.0637(7) Å and c = 8.1306(3) Å , results from a two-dim...

A new iron oxophosphate of composition Rb7Fe7(PO4)8O2·2H2O has been synthesized and studied by X-ray diffraction, TG and DTA analysis, magnetic susceptibility, neutron diffraction, Mössbauer spectroscopy and ionic conductivity. This compound crystallizes in the monoclinic system with the P21/c space group and the unit cell parameters a = 8.224(8) Å...

We have investigated the magnetic and magnetoelectric properties of LiCrGe2O6 and reinvestigated the magnetic properties of LiCrSi2O6. Using superconducting quantum interference device magnetometry, electrical polarization, and neutron diffraction, we give evidence for the presence of magnetic frustration in the magnetoelectric pyroxenes LiCrX2O6 (...

CoSe2O5 has a crystal structure consisting of zigzag chains of edge shared CoO6 octahedra running along the c axis with the chains separated by Se2O52− units. Magnetic-susceptibility measurements indicate a transition at 8.5 K to an ordered state. We investigate the nature of this magnetic order using magnetization and specific-heat measurements, i...

We investigated the magnetic, magnetoelectric, and crystal structures of the pyroxene NaCrSi 2 O 6 by super-conducting quantum interference device SQUID magnetometry, electrical polarization measurement, and powder neutron diffraction. Magnetic exchange couplings extracted from magnetization measurements are found to be J intra / k b = −0.484 K and...

A new iron oxophosphate of composition Rb7Fe7(PO4)8O2·2H2O has been synthesized and studied by X-ray diffraction, TG and DTA analysis, magnetic susceptibility, neutron diffraction, Mössbauer spectroscopy and ionic conductivity. This compound crystallizes in the monoclinic system with the P21/c space group and the unit cell parameters a = 8.224(8) Å...

The crystal structure and crystal chemistry of two natural pollucite samples, from Buckfield, Oxford County, Maine (sample M3), and from Kanzit Mawaie, Laghman, Nooristan, Afghanistan (sample N5), have been investigated by means of wavelength-dispersive X-ray microanalysis, thermogravimetric analysis, single-crystal X-ray and neutron diffraction, a...

We have studied the magnetodielectric response of Y2Cu2O5, the so-called blue phase in the Y2O3-CuO-BaO phase diagram. Based on symmetry principles, we predict and demonstrate magneto-dielectric coupling on a single crystal sample. We report an anomaly in the dielectric constant at the ordering temperature of the Cu spins. We probe the magnetic fie...

We investigated the magnetic and structural properties of the ferromagnetic pyroxene NaCrGe2O 6 by super-conducting quantum interference device magnetometry and powder neutron diffraction. This material is the only ferromagnetic member of the recently reported multiferroic pyroxene family AMX2O6 A =Li,Na; M = Fe, Cr; X =Si,Ge. Below T C = 6 K, the...

We investigate theoretically the ternary copper chalcogenides with the general formula Cu2MIIMIVS4. This family of compounds can crystallize in two different non-centrosymmetric structures, or Pnm 21. We show that all the reported members of Cu2MIIMIVS4 having the Pnm 21 symmetry exhibit a large spontaneous polarization. This result suggests that...

We investigated the magnetic and crystal structures of the recent reported magnetoelectric system LiCrSi2O6 by powder neutron diffraction. Below TN=11.5 K, an antiferromagnetic order appears. It is characterized by an antiferromagnetic coupling within the CrO6 octahedra chains and a ferromagnetic coupling between the chains. The magnetic order is c...

Cr[(H3N-(CH2)2-PO3)(Cl)(H2O)] represents a rare example of a polar organic-inorganic hybrid material that exhibits a canted antiferromagnetic order below TN=5.5 K. The unusual coexistence of a polar crystal structure and magnetic order triggered our investigation of the magnetodielectric coupling. The coupling is evidenced by an anomaly in the temp...

Recently, on the basis of symmetry considerations, we predicted that KMnFeF 6 and Ba 2 Ni 7 F 18 are likely magnetoelectric multiferroic materials. In this contribution, we investigate using Landau theory and crystal structure considerations the polarization and the linear magnetoelectric effect in these materials. Based on these two examples, we s...

We use symmetry considerations in order to predict new magnetoelectric fluorides. In addition to these magnetoelectric properties, we discuss which among these fluorides are the ones susceptible to present multiferroic properties. We emphasize that several materials exhibit ferromagnetic properties. This ferromagnetism should enhance the interplay...