Powder Diffraction Research Articles

Highly Active Cerium Oxide Supported Solution Combustion Cu/Mn Catalysts for CO-PrOx in a Hydrogen-Rich Stream

Mono- and di-substituted cerium oxide catalysts, viz. Ce0.95Cu0.05O2-δ, Ce0.90Cu0.10O2-δ, Ce0.90 Cu0.05Mn0.05O2-δ, Ce0.85Cu0.10Mn0.05O2-δ, and Ce0.80Cu0.10Mn0.10O2-δ, were synthesized via a one-step urea-assisted solution combustion method. The elemental composition and textural and structural properties of the catalysts were determined by various physical, electronic, and chemical characterization techniques. Hydrogen temperature-programmed reduction showed that co-doping of copper and manganese ions into the CeO2-δ lattice improved the reducibility of copper. Powder XRD, XPS, HR-TEM, and Raman spectroscopy showed that the catalysts were a singled-phased, solid-solution metal oxide with a cerium oxide cubic fluorite (cerianite) structure, and evidence of oxygen vacancies was observed. Catalytic results in the preferential oxidation of CO in a hydrogen-rich stream showed that complete CO conversion occurred between 150 and 180 °C. Furthermore, at 150 °C, Ce0.90Cu0.05Mn0.05O2-δ, Ce0.90 Cu0.10O2-δ, and Ce0.85Cu0.10Mn0.05O2-δ catalysts were the most active, achieving complete CO conversion and CO2 selectivity of 81, 79, and 71%, respectively. The catalysts performed moderately in the presence of CO2 and water, with the Ce0.90Cu0.05Mn0.05O2-δ catalyst giving a CO conversion of 80% in CO2, which decreased to about 60% when water was added.

Biogenic Origin of Fe-Mn Crusts from Hydrothermal Fields of the Mid-Atlantic Ridge, Puy de Folles Volcano Region

Ferromanganese formations are widespread in the Earth’s aquatic environment. Of all the mechanisms of their formation, the biogenic one is the most debatable. Here, we studied the Fe-Mn crusts of hydrothermal fields near the underwater volcano Puy de Folles (rift valley of the Mid-Atlantic Ridge). The chemical and mineralogical composition (optical and electron microscopy with EDX, X-ray powder diffraction, X-ray fluorescence analysis, Raman and FTIR spectroscopy, gas chromatography—mass spectrometry (GC-MS)) and the magnetic properties (static and resonance methods, including at cryogenic temperatures) of the samples of Fe-Mn crusts were investigated. In the IR absorption spectra, based on hydrogen bond stretching vibrations, it was concluded that there were compounds with aliphatic (alkane) groups as well as compounds with double bonds (possibly with a benzene ring). The GC-MS analysis showed the presence of alkanes, alkenes, hopanes, and steranes. Magnetically, the material is highly coercive; the blocking temperatures are 3 and 13 K. The main carriers of magnetism are ultrafine particles and X-ray amorphous matter. The analysis of experimental data allows us to conclude that the studied ferromanganese crusts, namely in their ferruginous phase, were formed as a result of induced biomineralization with the participation of iron-oxidizing and iron-reducing bacteria.

Mucoadhesive in situ nasal gel of amoxicillin trihydrate for improved local delivery: Ex vivo mucosal permeation and retention studies

Orally administered amoxicillin is recommended as the first-line treatment of acute bacterial rhinosinusitis (ABR) and given in a high-dose regimen. However, the risk of various systemic adverse reactions and low oral bioavailability are unbearable, increasing the threat of antibiotic resistance. Therefore, nasal delivery of amoxicillin can be a potential approach for effectively treating ABR locally, as well as overcoming those drawbacks. In a way to guarantee the effectiveness for local therapy in nasal cavity, the permeation and retention properties are of significant importance considerations. Accordingly, the present work aimed to investigate the characteristics with respect to the nasal applicability of the in situ gelling amoxicillin trihydrate (AMT) and further evaluate its permeability and retention properties through human nasal mucosa. The lyophilized formulations were characterized utilizing the Differential Scanning Calorimetry (DSC) and X-ray Powder Diffraction (XRPD), and also evaluated for its polarity, reconstitution time, droplet size distribution, mucoadhesive properties, and ex vivo permeability and retention studies. The results confirmed that the in situ gelling AMT formulations possess adequate mucoadhesive behavior, especially the formulation containing 0.3 % of gellan gum. Substantially, the in situ gelling AMT formulations were able to retain the drug on the surface of nasal mucosa instead of permeating across the membrane; thus, suitable for treating nasal infections locally. Altogether, the in situ gelling systems demonstrates promising abilities as a delivery platform to enhance local application of AMT within the nasal cavity.

Quantitative localisation of titanium in the framework of titanium silicalite-1 using anomalous X-ray powder diffraction

One of the biggest obstacles to developing better zeolite-based catalysts is the lack of methods for quantitatively locating light heteroatoms on the T-sites in zeolites. Titanium silicalite-1 (TS-1) is a Ti-bearing zeolite-type catalyst commonly used in partial oxidation reactions with H2O2, such as aromatic hydroxylation and olefin epoxidation. The reaction mechanism is controlled by the configuration of titanium sites replacing silicon in the zeolite framework, but these sites remain unknown, hindering a fundamental understanding of the reaction. This study quantitatively determines heteroatoms within the zeolite-type framework using anomalous X-ray powder diffraction (AXRD) and the changes in the titanium X-ray scattering factor near the Ti K-edge (4.96 keV). Two TS-1 samples, each with approximately 2 Ti atoms per unit cell, were examined. Half of the titanium atoms are primarily split between sites T3 and T9, with the remainder dispersed among various T-sites within both MFI-type frameworks. One structure showed significant non-framework titanium in the micropores of a more distorted lattice. In both samples, isolated titanium atoms were more prevalent than dinuclear species, which could only potentially arise at site T9, but with a significant energy penalty and were not detected.

Exploring electrochemical kinetic behaviors and interfacial charge transfer of pure and Ni-doped ZnFe2O4 nanoparticles-based sensing nanoplatform for ultra-sensitive detection of chloramphenicol

ZnFe2O4 (ZFO) nanomaterial was doped with a divalent transition metal cation of Ni2+ (NixZn1-xFe2O4, x=0, 0.2, 0.4, and 0.8) and characterized by various analytical techniques. Powder X-ray diffraction revealed the formation of a single-phase cubic spinel structure, while the stabilization of crystal structure for Ni2+-doped samples was observed. The average crystalline size, d-spacing, and lattice parameters increased with increasing in Ni2+ concentration within NixZn1-xFe2O4, due to differences in the ionic radius, the cation distribution at A-B sites, and the creation of surface oxygen vacancies within ZFO structure. From electrochemical measurements, NixZn1-xFe2O4-based electrodes showed excellent enhancements in charge transfer ability and conductivity with the highest rate constant (0.018 ms−1), the lowest peak-to-peak separation (206 mV), the lowest Rct (118 Ω), and the largest electrochemical active area (0.248 cm2), compared to that of bare SPE. Among them, Ni0.8Zn0.2Fe2O4/SPE provided outstanding electrochemical behaviors and achieved the best sensing performance with the widened concentration linear range from 0.25 to 50 μM and a rather low detection limit of 0.2 μM for chloramphenicol detection. The most important reason for this positive advance comes from the unique synergistic effects of Ni doping into the ZFO host structure. The excellent enhancements in adsorption capacity (Г) (1.4 times higher), number of oxygen vacancies, charge transfer rate constant (approximately 1.15 times higher), and catalytic rate constant (30 times greater) were recorded at Ni-doped ZFO-based electrodes, compared to pure ZFO-based electrode. Furthermore, the detailed hypotheses and possible mechanisms explaining these impressive enhancements were explored. Our work provides insight into the correlation between the Ni-doping and electrochemical characteristics, which has implications for tailoring the electrochemical performance of spinel ferrites across diverse applications and the design of novel spinel ferrite nanomaterials.

Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN

High-pressure neutron powder diffraction data from PbNCN were collected on the high-pressure diffraction beamline SNAP located at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (Tennessee, USA). The diffraction data were analyzed using the novel method of multidimensional (two dimensions for now, potentially more in the future) Rietveld refinement and, for comparison, employing the conventional Rietveld method. To achieve two-dimensional analysis, a detailed description of the SNAP instrument characteristics was created, serving as an instrument parameter file, and then yielding both cell and spatial parameters as refined under pressure for the first time for solid-state cyanamides/carbodiimides. The bulk modulus B 0 = 25.1 (15) GPa and its derivative B′0 = 11.1 (8) were extracted for PbNCN following the Vinet equation of state. Surprisingly, an internal transition was observed beyond 2.0 (2) GPa, resulting from switching the bond multiplicities (and bending direction) of the NCN2− complex anion. The results were corroborated using electronic structure calculation from first principles, highlighting both local structural and chemical bonding details.

Accelerated Lanthanide Intercalation into Graphite Catalyzed by Na.

Lanthanides (Ln) are notoriously difficult to intercalate into graphite. We investigated the possibility of using Na to catalyze the formation of Ln-intercalated graphite and successfully synthesized LnC6 (Ln = Sm, Eu, and Yb) significantly rapidly in high yields. The synthesis process involves the formation of the reaction intermediate NaCx, through the mixing of Na and C, which subsequently reacts with Ln upon heating to form LnC6. Well-sintered LnC6 pellets with low residual Na concentrations (Ln:Na ≈ 98:2) were fabricated by the two-step method. The pellets enabled the evaluation of LnC6 by powder X-ray diffraction and electrical resistivity measurements. This study highlights the versatility of the Na-catalyzed method and lays the foundation for the rapid mass production of LnC6, with potential applications in superconducting and rechargeable battery materials.

The Effect of In Concentration and Temperature on Dissolution and Precipitation in Sn-Bi Alloys.

Sn-Bi-based, low-temperature solder alloys are being developed to offer the electronics manufacturing industry a path to lower temperature processes. A critical challenge is the significant microstructural and lattice parameter changes that these alloys undergo at typical service temperatures, largely due to the variable solubility of Bi during the Sn phase. The influence of alloying additions in improving the performance of these alloys is the subject of much research. This study aims to enhance the understanding of how alloying with In influences these properties, which are crucial for improving the alloy's reliability. Using in situ heating synchrotron powder X-ray diffraction (PXRD), we investigated the Sn-57 wt% Bi-xIn (x = 0, 0.2, 0.5, 1, 3 wt%) alloys during heating and cooling. Our findings reveal that In modifies the microstructure, promoting more homogeneous Bi distribution during thermal cycling. This study not only provides new insights into the dissolution and precipitation behaviour of Bi in Sn-Bi-based alloys, but also demonstrates the potential of In to improve the thermal stability of these alloys. These innovations contribute significantly to advancing the performance and reliability of Sn-Bi-based, low-temperature solder alloys.

Sensitivity of Mild Hydrothermal Synthesis to the Reaction Conditions: Targeting Mixed-Metal Hexagonal Tungsten Bronze Fluorides AxM2+xM3+(1-x)F3 to Investigate Their Magnetic Behavior.

The synthesis of five quaternary hexagonal tungsten bronze (HTB) fluorides, AxM2+xM3+(1-x)F3, (A = Cs and Rb; M2+ = Co2+, Ni2+, and Zn2+; and M3+ = V3+) via a mild hydrothermal route is reported. The crystal structures and compositions were determined using a combination of single-crystal X-ray diffraction, Rietveld refinement of powder X-ray diffraction data, and inductively coupled plasma optical emission spectroscopy analysis. This study highlights the sensitivity of the mild hydrothermal method on the reaction temperature, solvent system, and quantity of starting reagents that directly influence the selective synthesis of kinetically stabilized fluoride materials, including hydrated fluorides, β-pyrochlores, and HTB. The magnetic susceptibility and isothermal magnetization data for all five compounds were collected, which revealed the existence of a strong antiferromagnetic component in these phases. The presence of the Kagome layer in the structure results in geometrical frustration and leads to frustration indexes ranging from 7 to 13 for these compounds.

Single-crystal growth, crystal structure, and molecular dynamics of organic–inorganic [NH3(CH2)2NH3]CuBr4

As part of obtaining excellent properties that can be used as lead-free hybrid solar cells, the crystal growth, crystal structure, phase transition temperature, and thermal properties for [NH3(CH2)2NH3]CuBr4 were discussed. The crystal structure at 300 K was determined to be monoclinic by single-crystal X-ray diffraction (XRD) analysis. The phase transition temperatures were determined to be 447 and 473 K, and the results were consistent with the powder XRD patterns. Thermogravimetric analysis revealed thermal stability up to ~ 460 K. The continuous changes in the 1H and 13C chemical shifts and 14N static resonance frequency with increasing temperature are related to variations in the local environment and coordination geometry. The significant differences in activation energies obtained from the 1H and 13C spin–lattice relaxation times (t1ρ) at low and high temperatures were discussed. The activation energy results suggested that the energy barrier at low temperatures was related to the reorientation of the NH3 and CH2 groups around the three-fold symmetry axis, and the energy barrier at high temperatures was related to the reorientation of the [NH3(CH2)2NH3] cation. These physical properties will be provide important insights or potential applications of this crystal.Please check and confirm that the corresponding author and their respective corresponding affiliation have been correctly identified and amend if necessary.OK !

Synthesis and Comprehensive Studies of Be‐IV‐N2 (IV=Si, Ge): Solving the Mystery of Wurtzite‐Type Pmc21 Structures

AbstractThe research for wurtzite‐type ternary nitride semiconductors containing earth abundant elements with a stoichiometry of 1 : 1 : 2 was focused on metals like Mg or Zn, so far. The vast majority of these Grimm–Sommerfeld analogue compounds crystallize in the β‐NaFeO2 structure, although a second arrangement in space group Pmc21 is predicted to be a viable alternative. Despite extensive theoretical and experimental studies, this structure has so far remained undiscovered. Herein, we report on BeGeN2 in a Pmc21 structure, synthesized from Be3N2 and Ge3N4 using a high‐pressure high‐temperature approach at 6 GPa and 800 °C. The compound was characterized by powder X‐ray diffraction (PXRD), solid state nuclear magnetic resonance (NMR), Raman and energy dispersive X‐ray (EDX) spectroscopy, temperature‐dependent PXRD, second harmonic generation (SHG) and UV/Vis measurements and in addition also compared to its lighter homologue BeSiN2 in all mentioned analytic techniques. The synthesis and investigation of both the first beryllium germanium nitride and the first ternary wurtzite‐type nitride crystallizing in space group Pmc21 open the door to a new field of research on wurtzite‐type related structures.

An Updated Structure of Oxybutynin Hydrochloride.

Oxybutynin (Ditropan), a widely distributed muscarinic antagonist for treating the overactive bladder, has been awaiting a definitive crystal structure for ≈50 years due to the sample and technique limitations. Past reports used powder X-ray diffraction (PXRD) to shed light on the possible packing of the molecule however their model showed some inconsistencies when compared with the 2D chemical structure. These are largely attributed to X-ray-induced photoreduction. Here microcrystal electron diffraction (MicroED) is used to successfully unveil the experimental 3D structure of oxybutynin hydrochloride showing marked improvement over the reported PXRD structure. Using the improved model, molecular docking is applied to investigate the binding mechanism between M3 muscarinic receptor (M3R) and (R)-oxybutynin, revealing essential contacts/residues and conformational changes within the protein pocket. A possible universal conformation is proposed for M3R antagonists, which is valuable for future drug development and optimization. This study underscores the immense potential of MicroED as a complementary technique for elucidating unknown pharmaceutical structures, as well as for protein-drug interactions.

Double‐Walled Honeycomb‐Like Metal‐Organophosphonium Framework with High H2 Gas Adsorption Capacities

This study successfully synthesized a new Metal‐Organic Framework (MOF) named CJLU‐L2, which was constructed from phosphorus‐containing ligands and Co(II) ions. The structure revealed through single‐crystal X‐ray diffraction (SCXRD), features a double‐walled honeycomb‐shaped structure with a one‐dimensional channel of ~ 6.5 Å. According to the PLATON calculation, the pore volume per unit cell of CJLU‐L2 was determined to be 6825.0 Å3, constituting 57.5% of the total crystal volume (11874.9 ų). The Brunauer‐Emmett‐Teller (BET) surface area of CJLU‐L2 was determined to be 954 m²/g by N2 adsorption measurement at 77 K. The phase purity of CJLU‐L2 was verified by powder X‐ray diffraction (PXRD) and infrared spectroscopy (IR), while its thermal stability was confirmed by thermogravimetric analysis (TGA). Hydrogen adsorption experiments demonstrate that CJLU‐L2 exhibits a high hydrogen adsorption capacity, indicating significant potential for gas adsorption applications.

Two 2-dimensional Mn(II)-based coordination polymers: synthesis, structure and luminescence properties

Luminescent ligand 4-([4,2′:6′,4″-terpyridin]-4′-yl)-N,N-diphenylaniline (tpatpy) was coordinated to MnX2 (X = Cl, Br) to construct two novel coordination polymers (CPs) by two-solvent interdiffusion, delivering compounds 1 (C66H48Br2MnN8) and 2 (C66H48Cl2MnN8). Single-crystal X-ray diffraction revealed that the two CPs both possessed microstructures of 2-dimensional layers which were tuned by six-coordinate Mn2+ ions. Compounds 1 and 2 display broad photoluminescent emission with intense peaks at ca. 468 nm, attributed to π*→n or π*→π transitions mixed with the ligand-to-ligand charge transfer (LLCT) transition. Their crystal structures, powder diffraction (PXRD) and thermogravimetry (TG) are also discussed.

A Comparative Study of Ni-Based Catalysts Prepared by Various Sol-Gel Routes.

The use of heterogeneous catalysts to increase the development of green chemistry is a rapidly growing area of research to save industry money. In this paper, mesoporous SiO2-Al2O3 mixed oxide supports with various Si/Al ratios were prepared using two different sol-gel routes: hydrolytic sol-gel (HSG) and non-hydrolytic sol-gel (NHSG). The HSG route was investigated in both acidic and basic media, while the NHSG was explored in the presence of ethanol and diisopropyl ether as oxygen donors. The resulting SiO2-Al2O3 mixed oxide supports were characterized using EDX, N2 physisorption, powder XRD, 29Si, 27Al MAS-NMR and NH3-TPD. The mesoporous SiO2-Al2O3 supports prepared by NHSG seemed to be more regularly distributed and also more acidic. Consequently, a simple one-step NHSG (ether and alcohol routes) was selected to prepare mesoporous and acidic SiO2-Al2O3-NiO mixed oxide catalysts, which were then evaluated in ethylene oligomerization. The samples prepared by the NHSG ether route showed better activity than those prepared by the NHSG alcohol route in the oligomerization of ethylene at 150 °C.

Multicolor Electrochemiluminescence of Binary Microcrystals of Iridium and Ruthenium Complexes.

We here report the multicolor electrochemiluminescence (ECL) of binary microcrystals prepared from a blue-emissive iridium complex 1 and an orange-emissive ruthenium complex 2. These materials display a plate-like morphology with high crystallinity, as demonstrated by microscopic and powder X-ray diffraction analyses. Under light excitation, these microcrystals exhibit gradient emission color changes as a result of the efficient energy transfer between two complexes. When modified on glass carbon electrodes, these microcrystals exhibit tunable ECLs with varied emission colors including sky-blue, white, orange, and red, depending the doping ratio of complex 2 and the applied potential. Furthermore, organic amines with different molecular sizes are used as the co-reactant to examine their influences on the ECL efficiency of the porous microcrystals of 1. The analysis on the luminance and RGB values of ECL suggests the existence of energy transfer in the generation of multicolor ECLs in these binary crystals.

"Evaluation of spinel ferrites magnetic nanoparticles based hyperthermia: in-vitro study"

This study is an attempt to compare the hyperthermia and antimicrobial activity of three members of the family of spinel ferrite magnetic nanoparticles (XFe2O4, where X = Mg, Cu, and CO) MNPs. Spinell ferrite of MgFe2O4, CuFe2O4, and CoFe2O4 were prepared via sol–gel method. Structural and morphological shapes were investigated by different techniques X-ray diffraction X-ray powder diffractometer (XRD), Fourier transformed infrared spectroscopy (FTIR), and (Transmission electron microscope) TEM. Magnetic properties were examined by vibrating sample magnetometer (VSM). The in vitro test was conducted on cervical Hela cells using an MTT assay. Finally, the antimicrobial activity was tested on Staphylococcus aureus, Bacillus subtlus, and Escherichia coli using a clearing inhibition zone. XRD results confirmed the crystalline nature of MgFe2O4, CuFe2O4, and CoFe2O4. VSM results showed a high maximum saturation (Ms = 44.87 emu/g) of CuFe2O4 which is greater than that of CoFe2O4 and MgFe2O4 (18.221 and 18.669) emu/g, respectively. MTT assay revealed that high cell death was detected on Hela cells of CuFe2O4 compared to that of MgFe2O4 and CoFe2O4. The anti-microbial study showed that the prepared spinel magnetic nanoparticles possessed antimicrobial activity due to the release of Mg, Cu, Co, and Fe ions. Results showed that the CuFe2O4 could be a good spinel ferrite for medical application with antimicrobial activity and generate heat (hyperthermia, anti-cancer material).

Magnetic symmetries of terbium tetraboride (TbB4) revealed by resonant x-ray Bragg diffraction

A recent experimental study of TbB4 at a low temperature using resonant x-ray Bragg diffraction implies a magnetic symmetry not found in any other rare-earth tetraboride. The evidence for this assertion is a change in the intensity of a TbB4 Bragg spot on reversing the handedness (chirality) of the primary x-ray beam [R. Misawa, K. Arakawa, T. Yoshioka, H. Ueda, F. Iga, K. Tamasaku, Y. Tanaka, and T. Kimura, ]. It reveals a magnetic chiral signature in TbB4 that is forbidden in phases of rare-earth tetraborides known to date, as the previous magnetic symmetries are parity-time (PT) symmetric with anti-inversion present in the magnetic crystal class. Misawa appeal to a PT-symmetric diffraction pattern to interpret their interesting diffraction patterns. In addition to the use of symmetry that does not permit a chiral signature, calculated patterns impose cylindrical symmetry on Tb sites with no justification. We review magnetic symmetries for TbB4 consistent with a published neutron powder diffraction pattern and susceptibility measurements. On the basis of this information, noncollinear antiferromagnetic order exists below a temperature ≈44 K with no ferromagnetic component. Our symmetry-informed patterns encapsulate Tb electronic degrees of freedom in terms of multipoles consistent with established sum rules for dichroic signals. The investigated symmetry templates are noncentrosymmetric, noncollinear antiferromagnetic constructions with propagation vector k=(0,0,0). An inferred chiral signature for a parity-even absorption event has an interesting composition. There is the anticipated product of Tb axial dipoles and chargelike quadrupoles (from Templeton-Templeton scattering). Beyond this contribution, though, symmetry allows a product of dipoles in the chiral signature. A predicted change in the intensity of a Bragg spot with rotation of the crystal about the reflection vector (an azimuthal angle scan) can be tested in future experiments. Likewise contributions to Bragg diffraction patterns from Tb anapoles and higher-order Dirac multipoles. Published by the American Physical Society 2024

Obtaining parallax-free X-ray powder diffraction computed tomography data with a self-supervised neural network

In this study, we introduce a method designed to eliminate parallax artefacts present in X-ray powder diffraction computed tomography data acquired from large samples. These parallax artefacts manifest as artificial peak shifting, broadening and splitting, leading to inaccurate physicochemical information, such as lattice parameters and crystallite sizes. Our approach integrates a 3D artificial neural network architecture with a forward projector that accounts for the experimental geometry and sample thickness. It is a self-supervised tomographic volume reconstruction approach designed to be chemistry-agnostic, eliminating the need for prior knowledge of the sample’s chemical composition. We showcase the efficacy of this method through its application on both simulated and experimental X-ray powder diffraction tomography data, acquired from a phantom sample and an NMC532 cylindrical lithium-ion battery.

Synthesis and Comprehensive Studies of Be-IV-N2 (IV=Si, Ge): Solving the Mystery of Wurtzite-Type Pmc21 Structures.

The research for wurtzite-type ternary nitride semiconductors containing earth abundant elements with a stoichiometry of 1 : 1 : 2 was focused on metals like Mg or Zn, so far. The vast majority of these Grimm-Sommerfeld analogue compounds crystallize in the β-NaFeO2 structure, although a second arrangement in space group Pmc21 is predicted to be a viable alternative. Despite extensive theoretical and experimental studies, this structure has so far remained undiscovered. Herein, we report on BeGeN2 in a Pmc21 structure, synthesized from Be3N2 and Ge3N4 using a high-pressure high-temperature approach at 6 GPa and 800 °C. The compound was characterized by powder X-ray diffraction (PXRD), solid state nuclear magnetic resonance (NMR), Raman and energy dispersive X-ray (EDX) spectroscopy, temperature-dependent PXRD, second harmonic generation (SHG) and UV/Vis measurements and in addition also compared to its lighter homologue BeSiN2 in all mentioned analytic techniques. The synthesis and investigation of both the first beryllium germanium nitride and the first ternary wurtzite-type nitride crystallizing in space group Pmc21 open the door to a new field of research on wurtzite-type related structures.