X-ray Powder Diffraction Experiments Research Articles

Investigating the Reductive Phosphatization Reaction Pathway in the Synthesis of Transition Metal Phosphates: A Case Study on Titanium Phosphates.

Reductive phosphatization is an original synthesis approach to the formation of transition metal phosphates (TMPs). The approach enables the synthesis of known TMPs, but also new compounds, especially with transition metals in a low-valent state. However, to exploit the enormous potential of this synthesis method, it is necessary to identify and characterize all of the potential intermediates and final synthesis products. Here, we report on in situ synchrotron X-ray powder diffraction experiments to unravel the temperature-dependent formation pathway of TMPs using TiO2-NH4H2PO2 as an example. The pathway consists of several consecutive steps, including the melting of NH4H2PO2, which acts as a reducing agent and a reaction medium. A reduction in the ratio of TiO2 to NH4H2PO2 decelerates the reaction and causes increased impurity formation. The hypophosphite melt reduces Ti4+ in TiO2 to Ti3+, and a previously unknown compound, denoted as Ti(III)po with chemical composition (NH4)xH1-xTi(HPO4)2, is formed. In a subsequent step, (NH4)xH1-xTi(HPO4)2 reacts in a polycondensation reaction to form monoclinic NH4TiP2O7, denoted as Ti(III)p in our earlier work.

Unprecedented Site Preference of Sn in the Structure of CoSn-Type NiIn1-xSnx (x < 0.7).

A series of compositions NiIn1-xSnx (x = 0-1) were synthesized by conventional high-temperature synthesis, and as-synthesized samples were checked by powder X-ray diffraction experiments. NiIn1-xSnx (x < 0.7) mainly forms the ternary variant of the CoSn-type structure (P6/mmm), whereas, x = 0.7-0.9, NiIn1-xSnx forms predominantly an orthorhombic (Pnma) phase. To resolve the accurate crystal structure of hexagonal NiIn1-xSnx, a combination of single-crystal X-ray diffraction and neutron powder diffraction techniques is employed. It is revealed that in the crystal structure of NiIn1-xSnx (x < 0.7), the Sn gradually substitutes one of the two In sites present in the NiIn (CoSn-type) and forms the pseudobinary NiIn1-xSnx (x < 0.7). These experimental findings on the specific site substitution are supplemented by first-principles density functional theory (DFT) calculations. Mulliken's and Löwdin's population and Bader charge analyses further support the unexpected substitution of Sn for one In site in the structure of hexagonal NiIn1-xSnx. The structure can be viewed as an alternating arrangement of two flat atomic layers in the [001]: Kagomé layer of Ni atoms with indium at the center of the hexagons and honeycomb nets of In/Sn. Density of state (DOS) calculations, crystal orbital Hamilton population (COHP) calculations, and crystal orbital bond index (COBI) calculations further elucidate the stability and bonding scenario in the hexagonal phases. Interestingly, gradual Sn inclusion into the CoSn-type NiIn downshifts the 3d band center from the Fermi level that could influence the catalytic performance as well as many intriguing properties. These findings not only contribute to the fundamental understanding of atomic ordering between neighboring elements in NiIn1-xSnx but also pave the way for designing fascinating physical and chemical properties.

Construction of Luminescent Three-Dimensional Covalent Organic Frameworks for Molecular Decoding of Wide Organic Compounds.

Constructing highly conjugated three-dimensional covalent organic frameworks (3D COFs), particularly those with luminescent features, remains a significant challenge. In this work, we successfully synthesized a 3D COF, named 3D-Py-SP-COF, using a rigid and orthogonal spirobifluorene building block for the spatial 3D structure construction and planar pyrene as luminescent units. The incorporation of the pyrene and the unique rigid 3D network structure endow 3D-Py-SP-COF with fluorescent properties. The successful formation of this 3D COF was verified by FT-IR, solid-state 13C CP-MAS NMR. Structural simulations based on the experimental powder X-ray diffraction analysis revealed that 3D-Py-SP-COF adopted a two-fold interpenetrated pts topology. The highly conjugated porous framework and fluorescent nature allow precise detection and localization of more than two dozen volatile organic compounds (VOCs), including aromatics, alcohols, and other commonly encountered industrial VOCs.

Systematic Investigations of the Solid Solution Zr(V1-xAlx)2 Adopting the Laves Phase Structures.

Laves phases are an interesting field of research when it comes to structural chemistry and physical properties. Investigations of the ternary system Zr-V-Al showed, in contrast to the system Hf-V-Al, that no superstructures can be observed within the solid solution Zr(V1-xAlx)2. High values of x form aluminum rich phases that adopt the hexagonal MgZn2 type structure while low values of x lead to vanadium rich phases that adopt the cubic MgCu2 type. All samples were investigated by powder X-ray diffraction experiments. Single crystal studies indicated that no superstructure formation is present in the investigated samples. 27Al MAS NMR investigations confirmed these findings. For ZrAl2, quantum-chemical calculations helped with the analysis of the 27Al NMR spectrum of the binary endmember of the solid solution. Some of the prepared samples were investigated with respect to their magnetic properties. The investigated compounds show Pauli-paramagnetism, in Zr(V0.875Al0.125)2 in addition superconductivity with a critical temperature of TC = 4.17(1) K was observed. Investigations of compositions that do not belong to the Laves phase regime clearly indicate that the MgZn2 type structure is still the dominant phase. Regardless of the starting composition chosen, the hexagonal Laves phase was mostly present.

PyFaults: a Python tool for stacking fault screening

PyFaults is an open-source Python library designed to model stacking fault disorder in crystalline materials and qualitatively assess the characteristic selective broadening effects in powder X-ray diffraction (PXRD). Here, the main capabilities of PyFaults are presented, including unit cell and supercell model construction, PXRD pattern calculation, assessment against experimental PXRD, and methods for rapid screening of candidate models within a set of possible stacking vectors and fault occurrence probabilities. This program aims to serve as a computationally inexpensive tool for identifying and screening potential stacking fault models in materials with planar disorder. Three diverse case studies, involving GaN, Li2MnO3 and Li3YCl6, are presented to illustrate the program functionality across a range of structure types and stacking fault modalities.

Accelerated Exploration of Empty Material Compositional Space: Mg-Fe-B Ternary Metal Borides.

Borides are a family of materials with valuable properties for various applications. Their diverse structures and compositions, yet disparity in the constituent chemical elements for the known compounds, give elemental substitutions for prototypes great potential for material discovery. To explore uncharted material compositional space, we develop a workflow that joins high-throughput crystal structure prediction and automated diffraction pattern matching to discover new compounds with significant prediction and synthesis hurdles. Utilizing the workflow, we explore the empty Mg-Fe-B ternary compositional space, previously uncharted largely due to the immiscibility of Mg and Fe, as a paradigm. A total of 275 ternary boride prototypes are classified, using which we predict 23 (158) stable and metastable ternary phases within 50 (200) meV/atom above the convex hull. We identify Gd2(FeB)7-type Mg2Fe7B7 and ZrCo3B2-type MgFe3B2 to match previously unsolved experimental powder X-ray diffraction (PXRD) patterns. The discovered Mg2Fe7B7 and related channeled structures feature mismatched Mg and (FeB) sublattice periods, for which we conduct structural analyses with respect to the PXRD. They are predicted to exhibit exceptionally fast superionic transport of Mg and outstanding electrochemical performance, which serve as post-Li-ion battery candidate electrode materials. This result opens a new avenue for borides' potential applications as electrode materials and fast ionic conductors. This work also portrays the map and landscape of ternary metal borides with similar chemical environments. With high efficiency, the prototype- and PXRD-assisted crystal structure prediction workflow opens a new avenue for exploring various material compositional spaces across the periodic table.

Intermolecular Interactions in Molecular Ferroelectric Zinc Complexes of Cinchonine

The use of chiral organic ligands as linkers and metal ion nodes with specific coordination geometry is an effective strategy for creating homochiral structures with potential ferroelectric properties. Natural Cinchona alkaloids, e.g., quinine and cinchonine, as compounds with a polar quinuclidine fragment and aromatic quinoline ring, are suitable candidates for the construction of molecular ferroelectrics. In this work, the compounds [CnZnCl3]·MeOH and [CnZnBr3]·MeOH, which crystallize in the ferroelectric polar space group P21, were prepared by reacting the cinchoninium cation (Cn) with zinc(II) chloride or zinc(II) bromide. The structure of [CnZnBr3]·MeOH was determined from single-crystal X-ray diffraction analysis and was isostructural with the previously reported chloride analog [CnZnCl3]·MeOH. The compounds were characterized by infrared spectroscopy, and their thermal stability was determined by thermogravimetric analysis and temperature-modulated powder X-ray diffraction experiments. The intermolecular interactions of the different cinchoninium halogenometalate complexes were evaluated and compared.

Synthesis, thermal and spectroscopic analysis, antimicrobial activities and molecular modeling of zinc(II) metal complex of benzoyl glycine

To analyze ligand characteristics and use, a benzamide-derived ligand(benzoyl glycine) was synthesized and characterized before complexing it with zinc(II) ions. The ligand was formed from benzamide and glycine, obtained upon purification and precipitation. FTIR and 1H NMR were used to characterize the ligand. Furthermore, thermogravimetric analysis (TGA) was used to study the thermal behavior of the ligand and its Zn(II) complex, revealing important thermodynamic characteristics. The zinc complex was subjected to X-ray powder diffraction experiments, which yielded structural insights. Density Functional Theory (DFT) calculations were used in molecular modeling to clarify structure and characteristics of the molecules. Moreover, anti-microbial tests were used to assess biological activity against E. Coli and A. Niger. This thorough investigation lays the foundation for future research in this area by offering insightful information about the synthesis, characterization, and possible uses of the ligand and its Zn(II) metal complexes.

Crystal Structure Determination from Powder Diffraction Patterns with Generative Machine Learning.

Powder X-ray diffraction (PXRD) is a cornerstone technique in materials characterization. However, complete structure determination from PXRD patterns alone remains time-consuming and is often intractable, especially for novel materials. Current machine learning (ML) approaches to PXRD analysis predict only a subset of the total information that comprises a crystal structure. We developed a pioneering generative ML model designed to solve crystal structures from real-world experimental PXRD data. In addition to strong performance on simulated diffraction patterns, we demonstrate full structure solutions over a large set of experimental diffraction patterns. Benchmarking our model, we predicted the structure for 134 experimental patterns from the RRUFF database and thousands of simulated patterns from the Materials Project on which our model achieves state-of-the-art 42 and 67% match rate, respectively. Further, we applied our model to determine the unreported structures of materials such as NaCu2P2, Ca2MnTeO6, ZrGe6Ni6, LuOF, and HoNdV2O8 from the Powder Diffraction File database. We extended this methodology to new materials created in our lab at high pressure with previously unsolved structures and found the new binary compounds Rh3Bi, RuBi2, and KBi3. We expect that our model will open avenues toward materials discovery under conditions which preclude single crystal growth and toward automated materials discovery pipelines, opening the door to new domains of chemistry.

A single photon resolution integrating chip for silicon microstrip sensors (SSDROC) in High Energy Photon Source

Single-photon counting silicon microstrip detectors play a crucial role in X-ray powder diffraction experiments due to their high sensitivity and low dead-time. The High Energy Photon Source (HEPS) is poised to become a world-leading facility for high-energy synchrotron radiation. The storage ring, being constructed in China, will operate at an electron energy of 6 GeV and an emittance of less than 0.06 nm rad, thereby providing an exceptionally bright synchrotron light beam.Consequently, there is a requirement for detectors at HEPS to possess enhanced photon counting capabilities. Our team developed a dedicated Application-Specific Integrated Circuit (SSDROC) and a readout electronics system for one-dimensional X-ray detection. To resolve the issue of inconsistent photon response across different channels, a novel secondary calibration method has been applied. The detector has undergone various performance tests, and the results show that the entire system has good linearity, high energy resolution, and a high count rate.

Effect of specimen displacement in X-ray powder diffraction measurements with laboratory diffractometers

The effect of specimen displacement in X-ray powder diffraction experiments with laboratory diffractometers has been revisited and new expressions have been derived for several commonly used experimental configurations, including Bragg–Brentano parafocusing geometry and flat-plate transmission geometry. The results presented in this work allow the analysis of data from samples with relatively large displacements. This may open the possibility to study samples with dimensions that are difficult to accommodate with the sample-handling capabilities of standard laboratory diffractometers.

Nucleation, crystal growth, XRD, optical, electrical, PC, SEM, SHG and Z-scan analysis of LHPP for NLO and optical limiting application

High-quality organic L-histidinium 4-nitrophenolate 4-nitrophenol (LHPP) single crystals were grown using an aqueous solution. The crystals were grown using slow evaporation solution technique (SEST) at a temperature of 40°C using a constant temperature bath (CTB). Nucleation growth rates were monitored for various durations using an optical microscope. The crystalline perfection was confirmed through sharp, high-intensity diffraction peaks observed in the theoretical and experimental powder X-ray diffraction (PXRD) analysis, which also confirmed the monoclinic crystal structure with the noncentrosymmetric P21 space group. The crystallite size and strain were calculated using Williamson–Hall coefficient. Vibrational frequency assignments of LHPP were determined using FTIR spectroscopic analysis. Optical properties were studied using UV–Vis NIR spectroscopic studies, which showed that the crystals have very low absorption and high transmittance in the entire visible region. Additionally, the optical energy bandgap (Eg) was calculated and found to be 6.15[Formula: see text]eV. Luminescence properties were studied using fluorescence (FL) analysis. Dielectric investigations were subjected to varying frequencies to study the suitability of the crystal for transistor application. The positive photoconductive (PC) nature of the crystal was confirmed using photoconductivity studies to confirm suitability for photodetector devices that measure the intensity of light rays. Etching studies revealed the growth pattern and the formation of different kinds of etch pits. The surface morphology was studied using scanning electron microscopy (SEM) and electrochemical studies were also carried out. The relative second harmonic generation (SHG) efficiency of the material was also examined and found to be 1.34 times that of standard KDP. The optical limiting and higher-order nonlinear optical (NLO) properties of the grown crystals were studied by the [Formula: see text]-scan method using a Nd: YAG laser functioning at 532[Formula: see text]nm.

Temperature- and pressure-responsive photoluminescence in a 1D hybrid lead halide

Low-dimensional hybrid lead halides with responsive emissions have attracted considerable attention due to their potential applications in sensing. Herein, a new one-dimensional hybrid lead bromide CyPbBr3 (Cy = cytosine cation) was synthesized to explore its emission evolution in response to temperature and pressure. The compound possesses an edge-sharing 1D double-chain structure and emits warm white light across nearly the entire visible spectrum upon ultraviolet excitation. This emission arises from the self-trapped excitons and its broadband feature is attributed to the strong electron-phonon coupling as revealed by the variable-temperature photoluminescence experiments. Moreover, a 4.5-fold pressure-induced emission enhancement was observed at 2.7 GPa which is caused by the pressure suppressed non-radiative energy loss. Furthermore, in-situ powder X-ray diffraction and Raman experiments reveal the maxima of the emission enhancement is associated with a phase transition at the same pressure. Our work demonstrates that low-dimensional metal halides are a promising class of stimuli-responsive materials which could have potential applications in temperature and pressure sensing.

Robustness of the pyrochlore structure in rare-earth A2Ir2O7 iridates and pressure-induced structural transformation in IrO2

A comprehensive study of the structural properties of the heavily investigated rare-earth A2Ir2O7 iridate series under extreme conditions is presented. From Pr2Ir2O7 to Lu2Ir2O7, the series is sufficiently covered by iridates with A = Pr, Sm, Dy, Ho, Er, Tm, Yb, and Lu; general trends and systematics within the series, including the understudied heavy-rare-earth members, are dependably followed. Temperature- and pressure-dependent synchrotron X-ray powder diffraction experiments reveal robustness of the pyrochlore structure throughout the series, down to 4 K and up to 20 GPa. The thermal expansivity of the pyrochlore lattice is determined, all falling in the Debye temperature range of θD = 360–420 K. The pressure compressibility shows a systematic increase of the bulk modulus with the rare-earth atomic number from K = 180–210 GPa. Combining the results of thermal measurements (Debye temperature) and pressure measurements (bulk modulus) enables us to determine the Grüneisen parameter of selected members and compare it to previous studies. Temperature and pressure evolution of the fractional coordinate of oxygen at 48f Wyckoff position, the sole free fractional coordinate in the crystal structure, is investigated and discussed regarding the antiferromagnetic ordering of the Ir magnetic moments. In addition to results on A2Ir2O7 iridates, the temperature and pressure evolution of the crystal structure of an IrO2 minority phase is followed. The tetragonal rutile-type structure is stable down to the lowest temperature. However, an application of pressure of approximately 15 GPa induces a structural transition: The tetragonal structure is orthorhombically distorted. The orthorhombic structure is still not fully stabilised at 20 GPa, and further distortion of the lattice (or subsequent structural transformations) is expected with increasing external pressure.

Universal simulation of absorption effects for X-ray diffraction in reflection geometry.

Analytical calculations of absorption corrections for X-ray powder diffraction experiments on non-ideal samples with surface roughness, porosity or absorption contrasts from multiple phases require complex mathematical models to represent their material distribution. In a computational approach to this problem, a practicable ray-tracing algorithm is formulated which is capable of simulating angle-dependent absorption corrections in reflection geometry for any given rasterized sample model. Single or multiphase systems with arbitrary surface roughness, porosity and spatial distribution of the phases in any combination can be modeled on a voxel grid by assigning respective values to each voxel. The absorption corrections are calculated by tracing the attenuation of X-rays along their individual paths via a modified shear-warp algorithm. The algorithm is presented in detail and the results of simulated absorption corrections on samples with various surface modulations are discussed in the context of published experimental results.

Photoresponsive silver nanowire nanoplatform for real-time drug delivery in non-small cell lung cancer therapy

In this study, we first successfully synthesized three different sizes and shapes of Ag nanowires (Ag NWs) using a polyol synthesis method. The size and morphology of the Ag NWs were controlled by the types of inorganic control agents in the reaction system (NaCl for 1, CuCl2 for 2, and FeCl3 for 3). The synthesized Ag NWs were characterized using scanning electron microscopy (SEM) and powder X-ray diffraction (PXRD) experiments. Subsequently, due to the favorable width of 1, we utilized it as an effective photosensitizer to construct a novel drug-loaded nanomaterial platform, namely 1-PLC@DOX (PLC stands for poly(ε-caprolactone), and DOX stands for Doxorubicin), to achieve on-demand drug release triggered by near-infrared (NIR) laser. The results indicate that the drug delivery system can achieve minimally invasive treatment of complex geometric defects. Under near-infrared irradiation, 1-PLC@DOX can heat up to 53.6 °C within 15 min, showing a unique heating platform on the heating curve, with ideal photothermal stability and heating effect compared to other groups. By toggling near-infrared irradiation on or off, 1-PLC@DOX can exhibit a stair-step drug release curve, suggesting that on-demand control of drug release using near-infrared laser as a trigger is feasible. In vitro biological evaluations demonstrate that 1-PLC@DOX exhibits good biocompatibility and anti-tumor ability, significantly reducing the invasive ability of A549 cells on non-small cell lung cancer (NSCLC) cells, and at the same time inhibiting the proliferation of cancer cells by regulating the p53 signaling pathway to cause apoptosis.

Optimizing the Sintering Conditions of (Fe,Co)1.95(P,Si) Compounds for Permanent Magnet Applications.

(Fe,Co)2(P,Si) quaternary compounds combine large uniaxial magnetocrystalline anisotropy, significant saturation magnetization and tunable Curie temperature, making them attractive for permanent magnet applications. Single crystals or conventionally prepared bulk polycrystalline (Fe,Co)2(P,Si) samples do not, however, show a significant coercivity. Here, after a ball-milling stage of elemental precursors, we optimize the sintering temperature and duration during the solid-state synthesis of bulk Fe1.85Co0.1P0.8Si0.2 compounds so as to obtain coercivity in bulk samples. We pay special attention to shortening the heat treatment in order to limit grain growth. Powder X-ray diffraction experiments demonstrate that a sintering of a few minutes is sufficient to form the desired Fe2P-type hexagonal structure with limited secondary-phase content (~5 wt.%). Coercivity is achieved in bulk Fe1.85Co0.1P0.8Si0.2 quaternary compounds by shortening the heat treatment. Surprisingly, the largest coercivities are observed in the samples presenting large amounts of secondary-phase content (>5 wt.%). In addition to the shape of the virgin magnetization curve, this may indicate a dominant wall-pining coercivity mechanism. Despite a tenfold improvement of the coercive fields for bulk samples, the achieved performances remain modest (HC ≈ 0.6 kOe at room temperature). These results nonetheless establish a benchmark for future developments of (Fe,Co)2(P,Si) compounds as permanent magnets.

Stimulus-Induced Dynamic Behavior Regulation of Flexible Crystals through the Tuning of Module Rigidity.

Introducing dynamic behavior into periodic frameworks has borne fruit in the form of flexible porous crystals. The detailed molecular design of frameworks in order to control their collective dynamics is of particular interest, for example, to achieve stimulus-induced behavior. Herein, by varying the degree of rigidity of ditopic pillar linkers, two isostructural flexible metal-organic frameworks (MOFs) with common rigid supermolecular building bilayers were constructed. The subtle substitution of single (in bibenzyl-4,4'-dicarboxylic acid; H2BBDC) with double (in 4,4'-stilbenedicarboxylic acid; H2SDC) C-C bonds in pillared linkers led to markedly different flexible behavior of these two MOFs. Upon the removal of guest molecules, both frameworks clearly show reversible single-crystal-to-single-crystal transformations involving the cis-trans conformation change and a resulting swing of the corresponding pillar linkers, which gives rise to Flex-Cd-MOF-1a and Flex-Cd-MOF-2a, respectively. Strikingly, a more favorable gas-induced dynamic behavior in Flex-Cd-MOF-2a was verified in detail by stepwise C3H6/C3H8 sorption isotherms and the corresponding in situ powder X-ray diffraction experiments. These insights are strongly supported by molecular modeling studies on the sorption mechanism that explores the sorption landscape. Furthermore, a consistency between the macroscopic elasticity and microscopic flexibility of Flex-Cd-MOF-2 was observed. This work fuels a growing interest in developing MOFs with desired chemomechanical functions and presents detailed insights into the origins of flexible MOFs.

Crystal structures of two new high-pressure oxynitrides with composition SnGe4N4O4, from single-crystal electron diffraction.

SnGe4N4O4 was synthesized at high pressure (16 and 20 GPa) and high temperature (1200 and 1500°C) in a large-volume press. Powder X-ray diffraction experiments using synchrotron radiation indicate that the derived samples are mixtures of known and unknown phases. However, the powder X-ray diffraction patterns are not sufficient for structural characterization. Transmission electron microscopy studies reveal crystals of several hundreds of nanometres in size with different chemical composition. Among them, crystals of a previously unknown phase with stoichiometry SnGe4N4O4 were detected and investigated using automated diffraction tomography (ADT), a three-dimensional electron diffraction method. Via ADT, the crystal structure could be determined from single nanocrystals in space group P63mc, exhibiting a nolanite-type structure. This was confirmed by density functional theory calculations and atomic resolution scanning transmission electron microscopy images. In one of the syntheses runs a rhombohedral 6R polytype of SnGe4N4O4 could be found together with the nolanite-type SnGe4N4O4. The structure of this polymorph was solved as well using ADT.

Functionalization and Structural Evolution of Conducting Quasi-One-Dimensional Chevrel-Type Telluride Nanocrystals.

Interfacing organic molecular groups with well-defined inorganic lattices, especially in low dimensions, enables synthetic routes for the rational manipulation of both their local or extended lattice structures and physical properties. While appreciably studied in two-dimensional systems, the influence of surface organic substituents on many known and emergent one-dimensional (1D) and quasi-1D (q-1D) crystals has remained underexplored. Herein, we demonstrate the surface functionalization of bulk and nanoscale Chevrel-like q-1D ionic crystals using In2Mo6Te6, a predicted q-1D Dirac semimetal, as the model phase. Using a series of alkyl ammonium (-NR4+; R = H, methyl, ethyl, butyl, and octyl) substituents with varying chain lengths, we demonstrate the systematic expansion of the intrachain c-axis direction and the contraction of the interchain a/b-axis direction with longer chain substituents. Additionally, we demonstrate the systematic expansion of the intrachain c-axis direction and the contraction of the interchain a/b-axis direction as the alkyl chain substituents become longer using a combination of powder X-ray diffraction and Raman experiments. Beyond the structural modulation that the substituted groups can impose on the lattice, we also found that the substitution of ammonium-based groups on the surface of the nanocrystals resulted in selective suspension in aqueous (NH4+-functionalized) or organic solvents (NOc4+-functionalized), imparted fluorescent character (Rhodamine B-functionalized), and modulated the electrical conductivity of the nanocrystal ensemble. Altogether, our results underscore the potential of organic-inorganic interfacing strategies to tune the structural and physical properties of rediscovered Chevrel-type q-1D ionic solids and open opportunities for the development of surface-addressable building blocks for hybrid electronic and optoelectronic devices at the nanoscale.