Perovskite iridates of 6H hexagonal structure present a plethora of possibilities in terms of the variety of ground states resulting from a competition between spin-orbit coupling (SOC), hopping, noncubic crystal field ($Δ_{CFE}^{NC}$) and superexchange energy scales within the Ir$_2$O$_9$ dimers. Here we have investigated one such compound Ba$_3$CdIr$_2$O$_9$ by x-ray diffraction, dc magnetic susceptibility($χ$), heat capacity($C_p$) and also ${}^{113}$Cd nuclear magnetic resonance (NMR) spectroscopy. We have established that the magnetic ground state has a small but finite magnetic moment on Ir$^{5+}$ in this system, which likely arises from intradimer Ir-Ir hopping and local crystal distortions. Our heat capacity, NMR, and dc magnetic susceptibility measurements further rule out any kind of magnetic long-/short-range ordering among the Ir moments down to at least 2K. In addition, the magnetic heat capacity data shows linear temperature dependence at low temperatures under applied high fields ($>$ 30 kOe), suggesting gapless spin-density of states in the compound.
The evolution of spin- and orbital-ordered states has been systematically investigated for a series of insulating perovskites $R$MnO$_3$ ($R$=La,Pr,Nd,...). $R$MnO$_3$ with a large GdFeO$_3$-type distortion is regarded as a frustrated spin system having ferromagnetic nearest-neighbor and antiferromagnetic (AF) next-nearest-neighbor (NNN) interactions within a MnO$_2$ plane. The staggered orbital order associated with the GdFeO$_3$-type distortion induces the anisotropic NNN interaction, and yields the unique sinusoidal and $E$-type ("up-up-down-down") AF ordered states in the distorted perovsk…
The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems La2NaB'O6 (B' = Ru, Os) reveal an incommensurate magnetic ground state for La2NaRuO6 and a drastically suppressed ordered moment for La2NaOsO6. This behaviour is attributed to the large monoclinic structural distortions of these double perovskites. The distortions have the effect of weakening the nearest neighbour superexchange interactions, presumably to an en…
Using results of the band structure calculations in the local-spin-density approximation we demonstrate how the crystal distortions affect the magnetic structure of orthorhombically distorted perovskites leading to a non-collinear spin arrangement. Our results suggest that the non-collinearity of the spin magnetic moments, being generally small in La$M$O$_3$ series with $M$=Cr-Fe, is large in SrRuO$_3$.
Interesting magnetic structure found experimentally in a series of manganites RMnO$_3$, where R is a rare earth, was explained, ostensibly, by Kimura et al, in terms of a classical Heisenberg model with an assumed set of exchange parameters, nearest-neighbor and next-nearest-neighbor interactions, $J_n$. They calculated a phase diagram as a function of these parameters for the ground state, in which the important "up-up-down-down" or E-phase occurs for finite ratios of the $J_n$. In this Comment we show that this state does not occur for such ratios; the error is traced to an incorrect method …
"Realistic modeling" is a new direction of electronic structure calculations, where the main emphasis is made on the construction of some effective low-energy model entirely within a first-principle framework. Ideally, it is a model in form, but with all the parameters derived rigorously, on the basis of first-principles electronic structure calculations. The method is especially suit for transition-metal oxides and other strongly correlated systems, whose electronic and magnetic properties are predetermined by the behavior of some limited number of states located near the Fermi level. After r…
Spin-reorientation phase transitions that involve the rotation of a crystal$'$s magnetization have been well characterized in distorted-perovskite oxides such as the orthoferrites. In these systems spin reorientation occurs due to competing rare-earth and transition metal anisotropies coupled via $f$-$d$ exchange. Here, we demonstrate an alternative paradigm for spin reorientation in distorted perovskites. We show that the $R_2\mathrm{CuMnMn_4O_{12}}$ (R = Y or Dy) triple A-site columnar-ordered quadruple perovskites have three ordered magnetic phases and up to two spin-reorientation phase tra…
The synthesis and characterization of the previously unknown material LaCaScIrO$_6$ is reported. LaCaScIrO$_6$ presents a new example of the rare case of a double perovskite with the strongly spin-orbit coupled 5\textit{d}-ion Ir$^{4+}$ as its only magnetic species, forming a monoclinically distorted version of the frustrated fcc lattice. Magnetization measurements show a weak anomaly at 8~K. The Curie-Weiss temperature Θ$_{CW}$ and effective magnetic moment μ$_{eff}$ of LaCaScIrO$_6$ are in close proximity to the related compound La$_2$MgIrO$_6$ but differ from La$_2$ZnIrO$_6$. This suggests …
We explore the relative strengths of spin orbit coupling and crystal field splitting in the Ir5+ compounds Ba2-xSrxYIrO6. In the case of strong spin orbit coupling and regular Ir5+ octahedra, one expects a nonmagnetic J = 0 state; in the case of distorted octahedra where crystal field effects dominate, the t2g manifold splits into a magnetic ground state. We report the results of continuously transitioning from the cubic Ba2YIrO6 double perovskite with ideal octahedra to the monoclinic Sr2YIrO6 double perovskite with distorted octahedra. We see no emergence of an enhanced Ir5+ magnetic moment …
Using an effective low-energy Hamiltonian derived from the first-principles electronic structure calculations for the narrow $t_{2g}$ bands of YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$, we evaluate the contributions of the correlation energy ($E_C$) to the stability of different magnetic structures, which can be realized in these distorted perovskite oxides. We consider two approximations for $E_C$, which are based on the regular perturbation theory expansion around a nondegenerate Hartree-Fock ground state. One is the second order of perturbation theory, which allows us to compare the effect…
Using first principles calculations, we investigate the electronic and magnetic properties of the trigonally distorted (R-3c) perovskite-derived NiCrO$_3$. Within the local spin density approximation (LSDA), our calculations show that this system is an exactly compensated half-metal (CHM). The local spin moments of Cr 2.04, and antialigned Ni -1.41 and three oxygens -0.63 (in the units of $μ_B$), indicate high spin S=3/2 Cr$^{3+}$ and S=3/2 (NiO$_3$)$^{3-}$ units. Considering reasonable values of the on-site Coulomb repulsion U on both Ni and Cr ions with LDA+U approach, this system becomes an…
Materials with a 5d4 electronic configuration are generally considered to have a nonmagnetic ground state (J=0). Interestingly, Sr2YIrO6 (Ir5+ having 5d4 electronic configuration) was recently reported to exhibit long-range magnetic order at low temperature and the distorted IrO6 octahedra were discussed to cause the magnetism in this material. Hence, a comparison of structurally distorted Sr2YIrO6 with cubic Ba2YIrO6 may shed light on the source of magnetism in such Ir5+ materials with 5d4 configuration. Besides, Ir5+ materials having 5d4 are also interesting in the context of recently predic…
We present a detailed temperature-dependent spectroscopic study of DyMnO3 single crystals with distorted perovskite structure. Energies of 36 crystal-field levels of Dy3+ in paramagnetic DyMnO3 were determined. The Dy3+ ground Kramers doublet does not split at T_N^Mn = 39 K and splits below Tlock = 18 K. The splitting grows fast at temperatures near T_N^Dy = 6.5 K and reaches Δ0 = 11 cm-1 at 4 K. Using the experimental temperature dependence Δ0(T), we calculate the dysprosium magnetic moment mDy(T) and the dysprosium contribution into specific heat and magnetic susceptibility. Analysing all th…
Compounds with distorted perovskite structure of the 4-f and 3-d transition metals with the common formula LnTO3 (where Ln is rare-earth element, T is an element from the Fe group) are the most multifold binary oxides of these two groups elements. Wide range of stability for this structure allows the realization of combinations of the Lanthanides with all the transition metals except the Nickel. Quite interesting physical phenomena take place in these oxides like charge and orbital ordering; relatively independent magnetic lattices of the both metals; particular magnetic structures; high optic…
Muon spin relaxation measurements are reported on samples of dimethylammonium metal formates containing magnetic divalent nickel, cobalt, manganese, and copper ions. These hybrid organic-inorganic perovskites exhibit weak ferromagnetism and are, apart from the copper system, multiferroics with well separated magnetic and antiferroelectric transitions. We use muons to follow the sublattice magnetization, observing the effect of the spin reorientation transitions below TN and the criticality approaching TN. The multiferroic samples have three-dimensional antiferromagnetic interactions, but the c…
Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled $d^2$ double perovskites. Whether the ground state is a Janh-Teller-distorted order of quadrupoles or the hitherto elusive octupolar order remains debated. We resolve this uncertainty through direct calculations of all-rank inter-site exchange interactions and inelastic neutron scattering cross-section for the $d^2$ double perovskite series Ba$_2M$OsO$_6$ ($M$= Ca, Mg, Zn). Using advanced many-body first principles methods we show that the ground state is formed by fe…
Selenium and tellurium are among the few elements that form $AB$O$_3$ perovskite structures with a four valent ion in the $A$ site. This leads to highly distorted structures and unusual magnetic behavior. Here we investigate the Co and Ni selenite and tellurite compounds, CoSeO$_3$, CoTeO$_3$, NiSeO$_3$ and NiTeO$_3$ using first principles calculations. We find an interplay of crystal field and Jahn-Teller distortions that underpin the electronic and magnetic properties. While all compounds are predicted to show an insulating G-type antiferromagnetic ground state, there is a considerable diffe…
SrIrO$_3$ crystallizes in a monoclinic structure of distorted hexagonal perovskite at ambient pressure. The transport measurements show that the monoclinic SrIrO$_3$ is a low-carrier density semimetal, as in the orthorhombic perovskite polymorph. The electronic structure calculation indicates a semimetallic band structure with Dirac bands at two high-symmetry points of Brillouin zone only when spin-orbit coupling is incorporated, suggesting that the semimetallic state is produced by the strong spin-orbit coupling. We argue that the Dirac bands are protected by the non-symmorphic symmetry of la…
We develop anisotropic pseudo-spin antiferromagnetic Heisenberg models for monoclinically distorted double perovskites. We focus on these A$_2$BB'O$_6$ materials that have magnetic moments on the 4d or 5d transition metal B' ions, which form a face-centered cubic lattice. In these models, we consider local z-axis distortion of B'-O octahedra, affecting relative occupancy of $t_{2g}$ orbitals, along with geometric effects of the monoclinic distortion, and spin-orbit coupling. The resulting pseudo-spin-1/2 models are solved in the saddle-point limit of the Sp(N) generalization of the Heisenberg …
Sr$_{2}$NiIrO$_{6}$ would be a ferromagnetic (FM) insulator in terms of the common superexchange mechanism between the first nearest neighboring (1NN) magnetic ions Ni$^{2+}$ ($t_{2g}^{6}e_{g}^{2}$) and Ir$^{6+}$ ($t_{2g}^{3}$). However, the observed antiferromagnetic (AF) order questions this viewpoint. In this work, we present first-principles calculations and find that while the 1NN Ni$^{2+}$-Ir$^{6+}$ exchange is indeed FM, the 2NN and 3NN couplings in the fcc Ir (and Ni) sublattice are AF. Moreover, the 2NN AF Ir-Ir coupling turns out to be even stronger than the 1NN FM Ni-Ir coupling, th…
We performed a first-principles study of the structural, vibrational, electronic and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes a reconstructive phase transition at 8 GPa from the Pnma distorted perovskite structure toward the Cmcm post-perovskite structure. This is confirmed by a sudden change of the Mn-F-Mn bondings where the crystal goes from corner shared octahedra in the Pnma phase to edge shared octahedra in the Cmcm phase. The magnetic ordering also changes from a G-type antiferromagnetic ordering in the Pnma phase to a C-type antiferr…
Pressure induced phase transitions of MIAgIIF3 perovskites where M = K, Rb, Cs, have been predicted theoretically for the first time for pressures up to 100 GPa. The sequence of phase transitions for M = K and Rb consists of an orthorhombic to monoclinic and back to orthorhombic transition, associated with progressive bending of infinite chains of corner sharing [AgF6]4 minus octahedra and their mutual approaching via secondary Ag...F contacts. In stark contrast, only a single phase transition i.e. tetragonal to triclinic, is predicted for CsAgF3, associated with substantial deformation of the…
KCrF3 represents another prototypical orbital-ordered perovskite, where Cr2+ possesses the same electronic configuration of 3d4 as that of strongly Jahn-Teller distorted Mn3+ in many CMR manganites. The crystal and magnetic structures of KCrF3 compound are investigated by using polarized and unpolarized neutron powder diffraction methods. The results show that the KCrF3 compound crystallizes in tetragonal structure at room temperature and undergoes a monoclinic distortion with the decrease in temperature. The distortion of the crystal structure indicates the presence of cooperative Jahn-Teller…
Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as Hubbard type correlation, are expected in the ($111$) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a LaMnO$_3$ ($111$) bilayer sandwiched in LaScO$_3$ barriers has been investigated. For the ideal undistorted perovskite structure, the Fermi energy of LaMnO$_3$ ($111$) bilayer just stays at the Dirac point, rendering a semi-metal (graphene-like) which is also a half-metal (different from g…
Orthorhombically distorted perovskite manganites, RMnO3 with R being a trivalent rare-earth ion, exhibit a variety of magnetic and electric phases including multiferroic (i.e. concurrently magnetic and ferroelectric) phases and fascinating magnetoelectric phenomena. We theoretically study the phase diagram of RMnO3 by constructing a microscopic spin model, which includes not only the superexchange interaction but also the single-ion anisotropy (SIA) and the Dzyaloshinsky-Moriya interaction (DMI). Analysis of this model using the Monte-Carlo method reproduces the experimental phase diagrams as …
In contrast to the previous reports that the divalent perovskite SrCrO$_3$ was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and minority nonmagnetic cubic phase. Within the local (spin) density approximation (L(S)DA) our calculations confirm that a slightly tetragonally distorted phase indeed is energetically favored. Using the correlated band theory method (LDA+ Hubbard U) as seems to be justified by the unusual behavior observed in SrCrO$_3$, above the critical value $U_c$=4 eV on…
Ceramics of A_{2}FeReO_{6} double-perovskite have been prepared and studied for A=Ba and Ca. Ba_{2}FeReO_{6} has a cubic structure (Fm3m) with $a\approx $8.0854(1) Åwhereas Ca_{2}FeReO_{6} has a distorted monoclinic symmetry with $a\approx 5.396(1) Å, b\approx 5.522(1) Å, c\approx 7.688(2) Å$ and $β=90.4^{\circ} (P21/n)$. The barium compound is metallic from 5 K to 385 K, i.e. no metal-insulator transition has been seen up to 385 K, and the calcium compound is semiconducting from 5 K to 385 K. Magnetization measurements show a ferrimagnetic behavior for both materials, with T_{c}=315 K for Ba_…
Using both an effective three-band model and {\it ab initio} calculations, we have investigated various topological features in the cubic ferromagnetic $5d^{1,2}$ systems showing large spin-orbit coupling (SOC): Ba$_2$NaOsO$_6$, Sr$_2$SrOsO$_6$, and Ba$_2$$B$ReO$_6$ ($B$= Mg, Zn). In the presence of time-reversal symmetry (${\cal T}$), spinless Dirac nodal loops linked to each other at the $W$ points appear in the mirror planes. Remarkably, breaking ${\cal T}$ leads to spinful magnetic Weyl nodal loops (MWNLs) that are robust even at large SOC and correlation strength $U$ variation due to the …
Recently, in the seemingly narrow gap insulating NiCrO$_3$ with the trigonally distorted (R-3c) perovskite-like structure, a compensated half-metal (CHM) is predicted, as applying a modest pressure. Using ab initio calculations including both Coulomb correlations and spin-orbit coupling (SOC), we investigate the as-yet-unsynthesized PdCrO$_3$, isostructural and isovalent to NiCrO$_3$. Upon applying the on-site Coulomb repulsion $U$ to both Pd and Cr ions, the Cr spin moment is precisely compensated with the antialigned spin moments of Pd and oxygens. Coincidentally only one spin channel remain…
Erbium orthochromite, ErCrO3, is a distorted-perovskite which has antiferromagnetic ground state below 10 K while Cr3+ magnetic moments order at 133 K. The temperature dependence of magnetization is studied across different magnetic phases for ErCrO3 and different magnetization isotherms are analyzed. In the presence of external magnetic field, polycrystalline ErCrO3 develops weak ferromagnetism from antiferromagnetic ground state. These magnetic phase transitions are observed to be of first order which is justified by thermal hysteresis and Arrott-plots.
Single-crystal synchrotron x-ray diffraction measurements in strong magnetic fields have been performed for magnetoelectric compounds GdMnO3 and TbMnO3. It has been found that the P || a ferroelectric phase induced by the application of a magnetic field at low temperatures is characterized by commensurate lattice modulation along the orthorhombic b axis with q = 1/2 and q = 1/4. The lattice modulation is ascribed to antiferromagnetic spin alignment with a modulation vector of (0 1/4 1). The change of the spin structure is directly correlated with the magnetic-field-induced electric phase trans…
We have deployed density functional theory, Wannier function analysis and mean-field calculations to investigate the double-double perovskite compound CaMnCrSbO_{6}. The crystallographically non-equivalent Mn atoms in the unit cell have tetrahedral and planar oxygen coordinations (labelled as Mn(1) and Mn(2)), while the Cr atom is in the centre of distorted oxygen octahedron. While the bulk magnetization and neutron diffraction suggest a simpler ferrimagnetic order (T_C=49 K) between Mn2+ and Cr3+ spins, the exchange interactions are more complex than that expected from a two sublattice magnet…
Monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite distorted by a frozen breathing and tilting phonon modes of BiO6 octahedra. The phonon mode softening is experimentally observed [M. Braden et al., Europhysics Letters (EPL) 34, 531 (1996)] in Ba1-xKxBiO3 through potassium doping followed by a transition into an ideal cubic perovskite structure at x = 0.37 close to the appearance of superconductivity. In our previous paper [D. Korotin et al., Journal of Physics: Condensed Matter 24, 415603 (2012)] we demonstrated that it is necessary to take into account …
We have implemented a systematic LSDA and LSDA+U study of the double perovskites $A_{2}$FeReO$_{6}$ (A=Ba,Sr,Ca) and Sr$_{2}$$M$MoO$_{6}$ (M=Cr,Mn,Fe,Co) for understanding of their intriguing electronic and magnetic properties. The results suggest a ferrimagnetic (FiM) and half-metallic (HM) state of $A_{2}$FeReO$_{6}$ (A=Ba,Sr) due to a pdd-$π$ coupling between the down-spin Re$^{5+}$/Fe$^{3+}$ $t_{2g}$ orbitals via the intermediate O $2p_π$ ones, also a very similar FiM and HM state of Sr$_{2}$FeMoO$_{6}$. In contrast, a decreasing Fe $t_{2g}$ component at Fermi level ($E_{F}$) in the distor…
The Mott-insulating distorted perovskite SmTiO$_3$, doped with a single SrO layer in a quantum-well architecture is studied by the combination of density functional theory with dynamical mean-field theory. A rich correlated electronic structure in line with recent experimental investigations is revealed by the given realistic many-body approach to a large-unit-cell oxide heterostructure. Coexistence of conducting and Mott-insulating TiO$_2$ layers prone to magnetic order gives rise to multi-orbital electronic transport beyond standard Fermi-liquid theory. First hints towards a pseudogap openin…
There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are strongly coupled. It is now generally accepted that ferroelectricity in TbMnO3 is induced by magnetic long range order that breaks the symmetry of the crystal and creates a polar axis [2]. One remaining key question is whether magnetic order can induce ferroelectric polarization that is as large as that of technologically useful materials. We show that ferro…
We have investigated the phonon and the magnetic excitations in LaCoO3 by inelastic neutron scattering measurements. The acoustic phonon dispersions show some characteristic features of the folded Brillouin zone (BZ) for the rhombohedrally distorted perovskite structure containing two chemical formula units of LaCoO3 in the unit cell. We observed two transverse optical (TO) phonon branches along (delta, delta, delta), consistent with previously reported Raman active Eg modes which show remarkable softening associated with the spin-state transition [Ishikawa et al., (Phys. Rev. Lett. 93 (2004) …
We report the crystal structure, magnetization and neutron scattering measurements on the double perovskite Ba$_2$YOsO$_6$. The $Fm\overline{3}m$ space group is found both at 290~K and 3.5~K with cell constants $a_0 = 8.3541(4)$~Å and $8.3435(4)$~Å, respectively. Os$^{5+}$ ($5d^3$) ions occupy a non-distorted, geometrically frustrated face-centered-cubic (FCC) lattice. A Curie-Weiss temperature $θ= -772$~K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long range antiferromagnetic order, consistent with a Type …
The dynamic magnetic properties of the distorted perovskite system La{0.7-x}Y{x}Ca{0.3}MnO{3} (0 <= x <= 0.15) have been investigated by ac-susceptibility and dc magnetization measurements, with emphasis on relaxation and aging studies. They evidence for x >= 0.10 the appearance of a metallic cluster glass phase, that develops just below the ferromagnetic transition temperature. The clusters grow with decreasing temperature down to a temperature T(f0) at which they freeze due to severe intercluster frustration. The formation of these clusters is explained by the presence of yttrium induced loc…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of about -2%. This transition is driven by strain-induced changes in the crystal-field splitting between the Ti t2g orbitals, which in turn are intimately related to the collective tilts and rotations of the oxygen octahedra in the orthorhombically distorted Pbnm perovskite structure. An accurate treatment of the underlying crystal structure is therefore crucial …
A 20% substitution of Bi with La in the perovskite Bi1-xLaxFe0.5Sc0.5O3 system obtained under high-pressure and high-temperature conditions has been found to induce an incommensurately modulated structural phase. The room temperature X-ray and neutron powder diffraction patterns of this phase were successfully refined using the Imma(0,0,g)s00 superspace group (g=0.534(3)) with the modulation applied to Bi/La- and oxygen displacements. The modulated structure is closely related to the prototype antiferroelectric structure of PbZrO3 which can be considered as the lock-in variant of the latter wi…
We describe neutron scattering experiments performed to investigate the magnetic order and dynamics of half-doped La1.5Sr0.5CoO4. This layered perovskite exhibits a near-ideal checkerboard pattern of Co2+/Co3+ charge order at temperatures below ~ 800 K. Magnetic correlations are observed at temperatures below ~ 60 K but static magnetic order only becomes established at 31 K, a temperature at which a kink is observed in the susceptibility. On warming above 31 K we observed a change in the magnetic correlations which we attribute either to a spin canting or to a change in the proportion of inequ…
Polarised neutron diffraction measurements have been made on HoFeO$_3$ single crystals magnetised in both the [001] and [100] directions ($Pbnm$ setting). The polarisation dependencies of Bragg reflection intensities were measured both with a high field of H = 9 T parallel to [001] at T = 70 K and with the lower field H = 0.5 T parallel to [100] at T = 5, 15, 25~K. A Fourier projection of magnetization induced parallel to [001], made using the $hk0$ reflections measured in 9~T, indicates that almost all of it is due to alignment of Ho moments. Further analysis of the asymmetries of general ref…
Single phase BiFeO3 nanoparticles have been successfully synthesized for the first time by a novel citrate combustion method without using any solvent. Well mixed metal nitrates along with citric acid which is used as fuel combust to give BiFeO3 nanoparticles after annealing. These particles are single phase in nature and crystallize in the rhombohedral distorted perovskite structure (space group-R3c) which has been confirmed by the Rietveld refinement of the room temperature powder x-ray diffraction data. Nearly spherical particles of average particle size 47 nm have been seen from transmissi…
The layered β-NaMnO2, a promising Na-ion energy-storage material has been investigated for its triangular lattice capability to promote complex magnetic configurations that may release symmetry restrictions for the coexistence of ferroelectric and magnetic orders. The complexity of the neutron powder diffraction patterns underlines that the routinely adopted commensurate structural models are inadequate. Instead, a single-phase superspace symmetry description is necessary, demonstrating that the material crystallizes in a compositionally modulated q= (0.077(1), 0, 0) structure. Here, Mn3+ Jahn…
