Crystallographic Symmetry Research Articles

Same same but Different - Definition and Explicit Notation of an Orientation in MTEX vs. Quasi-Standard

Even though the descriptive definition of orientation is the same in both settings, the explicitnotation of a crystallographic orientation as (3 3) matrix in terms of Euler angles featuredby the popular MATLAB toolbox MTEX differs by an inversion from the quasi-standard notation datedback to the early days of quantitative texture analysis championed by H.-J. Bunge. The origin of thisdiscrepancy is revealed by an enlightening view provided in algebraic terms of a change of basis.Understanding the effect of inversion is instrumental to do proper computations with crystallographicorientations and rotations, e.g. when multiplying with elements of a crystallographic symmetry group,and to compare results of texture analyses accomplished in different settings.

Emerging new phases in correlated Mott insulatorCa2RuO4.

The Mott insulator Ca2RuO4is a paradigmatic example among transition
metal oxides, where the interplay of charge, spin, orbital, and lattice degrees of freedom leads to competing quantum phases. In this paper, we focus on and review some key aspects, from the underlying physical framework and its basic properties, to recent theoretical efforts that aim to trigger unconventional quantum ground states, using several external parameters and stimuli. Using first-principle calculations, we demonstrate that Ca2RuO4shows a spin splitting in the reciprocal space, and identify it as an altermagnetic candidate material. The non relativistic spin-splitting has an orbital selective nature, dictated by the local crystallographic symmetry. Next, we consider two routes that may trigger exotic quantum states. The first one corresponds to transition metal substitution of the 4d4Ru with isovalent 3d3ions. This substitutional doping may alter the spin-orbital correlations favoring the emergence of negative thermal expansion. The second route explores fledgling states arising in a nonequilibrium steady state under the influence of an applied electric field. We show that the electric field can directly affect the orbital density, eventually leading to strong orbital fluctuations and the suppression of orbital imbalance, which may, in turn, reduce antiferromagnetism. These aspects suggest possible practical applications, as its unique properties may open up possibilities for augmenting existing technologies, surpassing the limitations of conventional materials.

Optimization of trigonometric polynomials with crystallographic symmetry and spectral bounds for set avoiding graphs

AbstractWe provide a new approach to the optimization of trigonometric polynomials with crystallographic symmetry. This approach widens the bridge between trigonometric and polynomial optimization. The trigonometric polynomials considered are supported on weight lattices associated to crystallographic root systems and are assumed invariant under the associated reflection group. On one hand the invariance allows us to rewrite the objective function in terms of generalized Chebyshev polynomials of the generalized cosines; On the other hand the generalized cosines parameterize a compact basic semi algebraic set, this latter being given by an explicit polynomial matrix inequality. The initial problem thus boils down to a polynomial optimization problem that is straightforwardly written in terms of generalized Chebyshev polynomials. The minimum is to be computed by a converging sequence of lower bounds as given by a hierarchy of relaxations based on the Hol–Scherer Positivstellensatz and indexed by the weighted degree associated to the root system. This new method for trigonometric optimization was motivated by its application to estimate the spectral bound on the chromatic number of set avoiding graphs. We examine cases of the literature where the avoided set affords crystallographic symmetry. In some cases we obtain new analytic proofs for sharp bounds on the chromatic number while in others we compute new lower bounds numerically.

Intergranular phase transformation in post-sinter annealed Nd–Dy–Fe–Cu–Ga–B magnet: from Ia[formula omitted]-cubic to I4/mcm-tetragonal structure

High-coercivity Nd–Fe–B permanent magnets crucially depend on the deliberate modulation of intergranular phases, an important embodiment being I4/mcm-tetragonal Nd6Fe13Ga intergranular phase in the Nd–Fe–Ga–B magnet. Particularly, for the Nd–Dy–Fe–Cu–Ga–B magnet containing multiple rare earths (RE) and alloying metals (M), understanding the evolution of RE6(Fe,M)14 intergranular phase becomes more critical in the quest for higher coercivity. Here we design the (Nd,Pr)29.0Dy3.0FebalCu0.5Ga0.5B0.9N1.15 (N=Co, Al, Zr, wt.%) as-sintered magnets, where the major RE/Cu/Ga-rich Ia3¯-cubic intergranular phase is agglomerated in triple junctions. These pristine as-sintered magnets are subjected to annealing over a wide temperature range (390∼900 °C for 3 h) and quenching over a wide time range (0.5∼12 h at 460 °C). Through systematic microstructural characterization and first-principle calculation, the intergranular phase transformation from RE/Cu/Ga-rich Ia3¯-cubic to Fe/Ga-rich I4/mcm-tetragonal structure, and accompanying elemental segregation is unveiled. During post-sinter annealing, metastable state I firstly occurs, consisting of nanostructured RE/Cu-rich Ia3¯-cubic and I4/mcm-tetragonal lamellas, with the emergence of multi-twins and coherent interface. Then it evolves into metastable state II, consisting of lath-shaped Fe/Cu/Ga-rich I4/mcm-tetragonal structure with fluctuating Fe/Cu concentrations. Simultaneously, metastable state III occurs, exhibiting P4-tetragonal platelets with lower Cu content and reduced crystallographic symmetry. Finally, heightened Fe/Ga diffusion into the lattice of tetragonal phase with synchronous Cu discharge generates the thermodynamically more stable Fe/Ga-rich RE6Fe13Ga phase. The implication of phase transformation pathways on the coercivity is discussed, offering valuable insights into the optimization of RE6(Fe,M)14 intergranular phase and allowing more space for enhanced coercivity.

Characterization and Solid-State UV-Vis Investigations of Photoelectrocatalytically Active La5Cl7[TeO3]4, a Mixed Anion Compound with Alternating 2D Layers of Oxygen and Chlorine.

An oxide chloride, La5Cl7[TeO3]4, was synthesized using the conventional high-temperature solid-state synthesis technique in an inert atmosphere. This compound possesses a novel crystal structure that can be described with the triclinic space group P1̅ (No. 2) and unit cell parameters: a = 7.2634(3) Å, b = 8.1241(3) Å, c = 9.1993(3) Å, α = 79.373(1)°, β = 83.599(1)°, and γ = 82.511(1)°. The preference of Te(IV) to coordinate to oxygen and direct its lone pair toward the lower charged chlorine results in 2D layers of both oxygen and chlorine, alternating along the crystallographic b-direction. Homoleptic coordination, solely to oxygen, and heteroleptic coordination to oxygen and chlorine are observed for lanthanum, forming layers connected through edge-sharing polyhedra. In the crystal structure, two distinct tellurium positions are observed, with three close Te-O distances, emphasizing an active lone pair. The compound has been investigated by solid-state UV-vis measurements, and a band gap of 3.44 eV has been determined by DFT calculations. Detailed photoelectrochemical measurements clearly indicate that the title compound is photoelectrocatalytically active, showing an n-type behavior. Raman spectroscopy confirms that complex tellurite ions are present in the crystal structure; several observed bands can be assigned to Te-O stretching, reflecting the relatively low crystallographic symmetry of the title compound.

Free tools for crystallographic symmetry handling and visualization.

Online courses and innovative teaching methods have triggered a trend in education, where the integration of multimedia, online resources and interactive tools is reshaping the view of both virtual and traditional classrooms. The use of interactive tools extends beyond the boundaries of the physical classroom, offering students the flexibility to access materials at their own speed and convenience and enhancing their learning experience. In the field of crystallography, there are a wide variety of free online resources such as web pages, interactive applets, databases and programs that can be implemented in fundamental crystallography courses for different academic levels and curricula. This paper discusses a variety of resources that can be helpful for crystallographic symmetry handling and visualization, discussing four specific resources in detail: the Bilbao Crystallographic Server, the Cambridge Structural Database, VESTA and Jmol. The utility of these resources is explained and shown by several illustrative examples.

On the temperature dependent photoluminescence of nanoscale LuPO4:Eu3+ and their application for bioimaging.

This work concerns a synthesis method for efficiently luminescent LuPO4:Eu3+ nanoscale particles (∼100 nm) as well as their temperature (77-500 K) and time dependent photoluminescence. In addition, the incubation of these particles into cells of a human lung adenocarcinomic cell line A549 is briefly presented. This points to the application for bioimaging and detection of cancer cells in the field of medical diagnostics. The emission spectra of Eu3+ doped LuPO4 nanoparticles show four [Xe]4f6 → [Xe]4f6 transition multiplets between 580 and 720 nm, which are typically for Eu3+ comprising luminescent materials, however the most intense one is the 5D0 → 7F4 (696.40 nm, 1.78 eV) transition due to the crystallographic position point symmetry D 2d of Eu3+ in xenotime LuPO4. Such an Eu3+ spectrum is rather useful for diagnostics due to the high penetration depth of 700 nm radiation into tissue.

Self-supervised probabilistic models for exploring shape memory alloys

Recent advancements in machine learning (ML) have revolutionized the field of high-performance materials design. However, developing robust ML models to decipher intricate structure-property relationships in materials remains challenging, primarily due to the limited availability of labeled datasets with well-characterized crystal structures. This is particularly pronounced in materials where functional properties are closely intertwined with their crystallographic symmetry. We introduce a self-supervised probabilistic model (SSPM) that autonomously learns unbiased atomic representations and the likelihood of compounds with given crystal structures, utilizing solely the existing crystal structure data from materials databases. SSPM significantly enhances the performance of downstream ML models by efficient atomic representations and accurately captures the probabilistic relationships between composition and crystal structure. We showcase SSPM’s capability by discovering shape memory alloys (SMAs). Amongst the top 50 predictions, 23 have been confirmed as SMAs either experimentally or theoretically, and a previously unknown SMA candidate, MgAu, has been identified.

Bis[μ-3-(pyridin-2-yl)pyrazolato]bis-[acetato-(3,5-dimethyl-1H-pyrazole)-nickel(II)

The title compound, [Ni2(C8H6N3)2(C2H3O2)2(C5H8N2)2] or [Ni(μ-OOCCH3)(2-PyPz)(Me2PzH)]2 (1) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me2PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH3)2·4H2O, 2-PyPzH, Me2PzH and tri-ethyl-amine as a base. Compound 1 {[Ni2(C30H34N10Ni2O4)]} at 100 K has monoclinic (P21/n) symmetry and the mol-ecules have crystallographic inversion symmetry. Mol-ecules of 1 comprise an almost planar dinuclear NiII core with an N4O2 coordination environment. The equatorial plane consists of N3,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me2PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitro-gen atom of a deprotonated 2-PyPz ligand. Compound 1 exhibits various inter- and intra-molecular C-H⋯O and N-H⋯O hydrogen bonds.

Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br).

The structures of seven gold(III) halide derivatives of general formula LAuX 3 (L = methyl-pyridines or di-methyl-pyridines, X = Cl or Br) are presented: tri-chlorido-(2-methyl-pyridine)-gold(III), [AuCl3(C6H7N)], 1 (as two polymorphs 1a and 1b); tri-bromido-(2-methyl-pyridine)-gold(III), [AuBr3(C6H7N)], 2; tri-bromido-(3-methyl-pyridine)-gold(III), [AuBr3(C6H7N)], 3; tri-bromido-(2,4-di-meth-yl-pyridine)-gold(III), [AuBr3(C7H9N)], 4; tri-chlorido-(3,5-di-methylpyridine)-gold(III), [AuCl3(C7H9N)], 5; tri-bromido-(3,5-di-methyl-pyridine)-gold(III), [AuBr3(C7H9N)], 6, and tri-chlorido-(2,6-di-methyl-pyridine)-gold(III), [AuCl3(C7H9N)], 7. Additionally, the structure of 8, the 1:1 adduct of 2 and 6, [AuBr3(C6H7N)]·[AuBr3(C7H9N)], is included. All the structures crystallize solvent-free, and all have Z' = 1 except for 5 and 7, which display crystallographic twofold rotation symmetry, and 4, which has Z' = 2. 1a and 2 are isotypic. The coordination geometry at the gold(III) atoms is, as expected, square-planar. Four of the crystals (1a, 1b, 2 and 8) were non-merohedral twins, and these structures were refined using the 'HKLF 5' method. The largest inter-planar angles between the pyridine ring and the coordination plane are observed for those structures with a 2-methyl substituent of the pyridine ring. The Au-N bonds are consistently longer trans to Br (average 2.059 Å) than trans to Cl (average 2.036 Å). In the crystal packing, a frequent feature is the offset-stacked and approximately rectangular dimeric moiety (Au-X)2, with anti-parallel Au-X bonds linked by Au⋯X contacts at the vacant positions axial to the coordination plane. The dimers are connected by further secondary inter-actions (Au⋯X or X⋯X contacts, 'weak' C-H⋯X hydrogen bonds) to form chain, double chain ('ladder') or layer structures, and in several cases linked again in the third dimension. Only 1b and 7 contain no offset dimers; these structures instead involve C-H⋯Cl hydrogen bonds combined with Cl⋯Cl contacts (1b) or Cl⋯π contacts (7). The packing patterns of seven further complexes LAuX 3 involving simple pyridines (taken from the Cambridge Structural Database) are compared with those of 1-8.

Non-destructive Imaging of Polar Domains and Crystallographic Symmetry in The Scanning Electron Microscope

Non-destructive Imaging of Polar Domains and Crystallographic Symmetry in The Scanning Electron Microscope

The crystal structure of Shethna protein II (FeSII) from Azotobacter vinelandii suggests a domain swap.

The Azotobacter vinelandii FeSII protein forms an oxygen-resistant complex with the nitrogenase MoFe and Fe proteins. FeSII is an adrenodoxin-type ferredoxin that forms a dimer in solution. Previously, the crystal structure was solved [Schlesier et al. (2016), J. Am. Chem. Soc. 138, 239-247] with five copies in the asymmetric unit. One copy is a normal adrenodoxin domain that forms a dimer with its crystallographic symmetry mate. The other four copies are in an `open' conformation with a loop flipped out exposing the 2Fe-2S cluster. The open and closed conformations were interpreted as oxidized and reduced, respectively, and the large conformational change in the open configuration allowed binding to nitrogenase. Here, the structure of FeSII was independently solved in the same crystal form. The positioning of the atoms in the unit cell is similar to the earlier report. However, the interpretation of the structure is different. The `open' conformation is interpreted as the product of a crystallization-induced domain swap. The 2Fe-2S cluster is not exposed to solvent, but in the crystal its interacting helix is replaced by the same helix residues from a crystal symmetry mate. The domain swap is complicated, as it is unusual in being in the middle of the protein rather than at a terminus, and it creates arrangements of molecules that can be interpreted in multiple ways. It is also cautioned that crystal structures should be interpreted in terms of the contents of the entire crystal rather than of one asymmetric unit.

3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide.

The title compound, 3-[(benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione, C12H9NO5 (3), is a precursor to an antimycobacterial squaramide. Block-shaped crystals of a monoclinic form (3-I, space group P21/c, Z = 8, Z' = 2) and needle-shaped crystals of a triclinic form (3-II, space group P-1, Z = 4, Z' = 2) were found to crystallize concomitantly. In both crystal forms, R22(10) dimers assemble through N-H...O=C hydrogen bonds. These dimers are formed from crystallographically unique molecules in 3-I, but exhibit crystallographic Ci symmetry in 3-II. Twinning by pseudomerohedry was encountered in the crystals of 3-II. The conformations of 3 in the solid forms 3-I and 3-II are different from one another but are similar for the unique molecules in each polymorph. Density functional theory (DFT) calculations on the free molecule of 3 indicate that a nearly planar conformation is preferred.

Crystallographic Quaternions

Symmetry transformations in crystallography are traditionally represented as equations and matrices, which can be suitable both for orthonormal and crystal reference systems. Quaternion representations, easily constructed for any orientations of symmetry operations, owing to the vector structure based on the direction of the rotation axes or of the normal vectors to the mirror plane, are known to be advantageous for optimizing numerical computing. However, quaternions are described in Cartesian coordinates only. Here, we present the quaternion representations of crystallographic point-group symmetry operations for the crystallographic reference coordinates in triclinic, monoclinic, orthorhombic, tetragonal, cubic and trigonal (in rhombohedral setting) systems. For these systems, all symmetry operations have been listed and their applications exemplified. Owing to their concise form, quaternions can be used as the symbols of symmetry operations, which contain information about both the orientation and the rotation angle. The shortcomings of quaternions, including different actions for rotations and improper symmetry operations, as well as inadequate representation of the point symmetry in the hexagonal setting, have been discussed.

Crystal-Inspired Cellular Metamaterials and Triply Periodic Minimal Surfaces.

Triply periodic minimal surfaces (TPMSs) are found in many natural objects including butterfly wings, sea urchins, and biological membranes. They simultaneously have zero mean curvature at every point and a crystallographic group symmetry. A metamaterial can be created from such periodic surfaces or used as a reinforcement of a composite material. While a TPMS as a mathematical object has been known since 1865, only novel additive manufacturing (AM) technology made it possible to fabricate cellular materials with complex TPMS shapes. Cellular TPMS-based metamaterials have remarkable properties related to wetting/liquid penetration, shock absorption, and the absence of stress concentrators. Recent studies showed that TPMSs are also found in natural crystals when electron surfaces are considered. Artificial crystal-inspired metamaterials mimic such crystals including zeolites and schwarzites. These metamaterials are used for shock, acoustic waves, and vibration absorption, and as structural materials, heat exchangers, and for other applications. The choice of the crystalline cell of a material, as well as its microstructure, plays a decisive role in its properties. The new area of crystal-inspired materials has many common features with traditional biomimetics with models being borrowed from nature and adjusted for engineering applications.

SOME CHARACTERISTICS AND CAUSES OF CHANGES IN THE RATE OF DISCOVERY OF NEW MINERALS SINCE 1800

ABSTRACT Construction of a discovery curve for Earth's minerals illustrates an abrupt inflection in rates of discovery and acceptance of new species that occurred in the middle of the 20th century. Prior to that time new mineral discovery is found to have accelerated at a modest pace of 0.3 species / year2. Since 1950 the rate of acceptance has accelerated at an average of 1.04 species / year2 such that the first two decades of the 21st century have been characterized by the acceptance of over 100 new minerals per year. Despite this rapid acceleration of discovery, the relative distribution among the 10 mineral classes of the Nickel-Strunz classification system of minerals identified prior to and after 1950 are nearly identical. Variation in the rates of attestation of the divisions, families, and mineral groups show distinct differences in that the maximum rates of discovery of minerals populating higher taxonomic levels occurred prior to 1950 while the attestation curve of newly recognized groups closely follows that defined by the identification of mineral species. The application of any hierarchical classification system to the mineral species is somewhat arbitrary and subject to biases or inconsistencies associated with the systematics of classification. Therefore, the discovery of new minerals is also considered within the context of the mathematically defined crystallographic space group symmetries. The space group attestation curve has a shape similar to those exhibited by the higher taxonomic levels within the Nickel-Strunz system. However, not all space groups are represented by naturally occurring minerals. Minerals discovered before and after the inflection in rates of new mineral discovery illustrate significantly different patterns of paragenesis. Nearly all of the species have been associated with one or more of 57 distinct paragenetic modes. Minerals that have long been known tend to have a higher number of paragenetic modes than those more recently discovered such that the average number of paragenetic modes is shown to have decreased linearly from 1950 to 2022. Further, the earliest known occurrence of over 80% of the currently accepted mineral species has been tabulated by the International Mineralogical Association. For species discovered prior to the inflection of 1950 a linear distribution of oldest ages is observed indicating that these minerals have earliest ages of occurrence that are uniformly distributed across the interval 0 to 4700 Ma. Conversely, approximately 70% of the species identified since 1950 have oldest known occurrences of less than 600 Ma and the age distribution of these post-1950 minerals exhibit an exponential distribution suggesting increasing efforts in new mineral discovery in tectonically active settings. Despite the differences in the pre- and post-1950 oldest age distributions, both populations exhibit similar temporal excursions in rates of new mineral creation that likely reflect substantial changes in Earth system processes responsible for new mineral formation.

Applications of the Clifford torus to material textures

This paper introduces a new 2D representation of the orientation distribution function for an arbitrary material texture. The approach is based on the isometric square torus mapping of the Clifford torus, which allows for points on the unit quaternion hypersphere (each corresponding to a 3D orientation) to be represented in a periodic 2D square map. The combination of three such orthogonal mappings into a single RGB (red–green–blue) image provides a compact periodic representation of any set of orientations. Square torus representations of five different orientation sampling methods are compared and analyzed in terms of the Riesz s energies that quantify the uniformity of the samplings. The effect of crystallographic symmetry on the square torus map is analyzed in terms of the Rodrigues fundamental zones for the rotational symmetry groups. The paper concludes with example representations of important texture components in cubic and hexagonal materials. The new RGB representation provides a convenient and compact way of generating training data for the automated analysis of material textures by means of neural networks.

Size-Dependence and High Temperature Stability of Radial Vortex Magnetic Textures Imprinted by Superconductor Stray Fields.

Swirling spin textures, including topologically nontrivial states, such as skyrmions, chiral domain walls, and magnetic vortices, have garnered significant attention within the scientific community due to their appeal from both fundamental and applied points of view. However, their creation, controlled manipulation, and stability are typically constrained to certain systems with specific crystallographic symmetries, bulk or interface interactions, and/or a precise stacking sequence of materials. Recently, a new approach has shown potential for the imprint of magnetic radial vortices in soft ferromagnetic compounds making use of the stray field of YBa2Cu3O7-δ superconducting microstructures in ferromagnet/superconductor (FM/SC) hybrids at temperatures below the superconducting transition temperature (TC). Here, we explore the lower size limit for the imprint of magnetic radial vortices in square and disc shaped structures as well as the persistence of these spin textures above TC, with magnetic domains retaining partial memory. Structures with circular geometry and with FM patterned to smaller radius than the superconductor island facilitate the imprinting of magnetic radial vortices and improve their stability above TC, in contrast to square structures where the presence of magnetic domains increases the dipolar energy. Micromagnetic modeling coupled with a SC field model reveals that the stabilization mechanism above TC is mediated by microstructural defects. Superconducting control of swirling spin textures, and their stabilization above the superconducting transition temperature by means of defect engineering holds promising prospects for shaping superconducting spintronics based on magnetic textures.

Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ♯SHAARP.ml package

Optical second harmonic generation (SHG) is a nonlinear optical effect widely used for nonlinear optical microscopy and laser frequency conversion. Closed-form analytical solution of the nonlinear optical responses is essential for evaluating materials whose optical properties are unknown a priori. A recent open-source code, ♯SHAARP.si, can provide such closed form solutions for crystals with arbitrary symmetries, orientations, and anisotropic properties at a single interface. However, optical components are often in the form of slabs, thin films on substrates, and multilayer heterostructures with multiple reflections of both the fundamental and up to ten different SHG waves at each interface, adding significant complexity. Many approximations have therefore been employed in the existing analytical approaches, such as slowly varying approximation, weak reflection of the nonlinear polarization, transparent medium, high crystallographic symmetry, Kleinman symmetry, easy crystal orientation along a high-symmetry direction, phase matching conditions and negligible interference among nonlinear waves, which may lead to large errors in the reported material properties. To avoid these approximations, we have developed an open-source package named Second Harmonic Analysis of Anisotropic Rotational Polarimetry in Multilayers (♯SHAARP.ml). The reliability and accuracy are established by experimentally benchmarking with both the SHG polarimetry and Maker fringes using standard and commonly used nonlinear optical materials as well as twisted 2-dimensional heterostructures.

High valley-degeneracy electron gas at double perovskite - strontium titanate interface

Emergent phenomena such as two-dimensional electron gas (2DEG) and interfacial superconductivity and ferromagnetism are generally built on the interface between insulating oxide thin films and substrates, e.g., LaAlO3/SrTiO3, where the 2D profiles of these electronic states are precisely confined at the interface of two insulators. Herein we report a high-mobility electron gas state with unusual symmetry at the interface of the Sr2CrMoO6/SrTiO3 (110) heterostructures, the fermiology of which follows the cubic crystallographic symmetry rather than the two-dimensional interface itself, resulting in the identical Shubnikov-de Haas oscillations with applied magnetic field along all the twelve equivalent [110] crystallographic directions of SrTiO3, distinctly different from the 2D nature of the electron gas reported previously. Neutron diffraction verifies the predicted ferrimagnetic ordering between Cr and Mo moments. This, together with the magnetic hysteresis loops and negative magnetoresistance in low-field region, suggests possible spin polarization of itinerant electrons. Therefore, a quasi-3D profile, high mobility (up to 104 cm2 V−1 s−1) and possibly spin polarized electronic state is observed in the double-perovskite-based oxide heterostructures. This finding of the electronic properties in Sr2CrMoO6/SrTiO3 (110) heterostructure expands the knowledge of interfacial physics, as well as shines light on oxide-based electronics and spintronics research.