Konrad Burkmann, Franziska Habermann, Roman Gumeniuk, Florian Mertens
{"title":"Low-temperature heat capacity and absolute entropy of yttrium(III) bromide (YBr3)","authors":"Konrad Burkmann, Franziska Habermann, Roman Gumeniuk, Florian Mertens","doi":"10.1515/znb-2024-0010","DOIUrl":"https://doi.org/10.1515/znb-2024-0010","url":null,"abstract":"The heat capacity of yttrium(III) bromide (YBr<jats:sub>3</jats:sub>) in the temperature range from 2 K to 300 K has been determined using a Physical Property Measurement System (PPMS). From these data the absolute entropy of the compound at 298.15 K has been derived.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140609790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tobias A. Teichtmeister, Alexander Hugo Bernhart, Klaus Wurst, Hubert Huppertz
{"title":"High-pressure/high-temperature synthesis of Ln 2CdB5O11(OH) (Ln = Tm, Lu)","authors":"Tobias A. Teichtmeister, Alexander Hugo Bernhart, Klaus Wurst, Hubert Huppertz","doi":"10.1515/znb-2024-0011","DOIUrl":"https://doi.org/10.1515/znb-2024-0011","url":null,"abstract":"This report presents work on the orthorhombic phases <jats:italic>Ln</jats:italic> <jats:sub>2</jats:sub>CdB<jats:sub>5</jats:sub>O<jats:sub>11</jats:sub>(OH) (<jats:italic>Ln</jats:italic> = Tm, Lu). The title compounds were synthesized in a Walker-type multianvil device at 7 GPa and 650 °C, and the resulting samples were thoroughly investigated through single-crystal and powder X-ray diffraction methods. Lu<jats:sub>2</jats:sub>CdB<jats:sub>5</jats:sub>O<jats:sub>11</jats:sub>(OH) crystallizes in the space group <jats:italic>Pmna</jats:italic> (no. 53) with the unit cell parameters <jats:italic>a</jats:italic> = 12.772(2), <jats:italic>b</jats:italic> = 4.6017(7), and <jats:italic>c</jats:italic> = 12.481(2) Å. Similar unit cell parameters are observed for the isotypic Tm analogue compound. The crystals have a layered crystal structure built up by four-, five-, and eight-membered rings of corner-sharing [BO<jats:sub>4</jats:sub>] tetrahedra. The structural data are accompanied by attenuated total reflection (ATR) infrared spectra and energy-dispersive X-ray spectroscopy (EDX).","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140574219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maren Rasmussen, Christian Näther, Wolfgang Bensch
{"title":"Solvothermal synthesis and selected properties of {[Ni(dien)2]3[V6As8O26]}2+·2 Cl– featuring the small [V6 IVAs8 IIIO26]4– cluster anion","authors":"Maren Rasmussen, Christian Näther, Wolfgang Bensch","doi":"10.1515/znb-2023-0074","DOIUrl":"https://doi.org/10.1515/znb-2023-0074","url":null,"abstract":"A new arsenato-polyoxovanadate with the composition {[Ni(dien)<jats:sub>2</jats:sub>]<jats:sub>3</jats:sub>[V<jats:sub>6</jats:sub>As<jats:sub>8</jats:sub>O<jats:sub>26</jats:sub>]}<jats:sup>2+</jats:sup>·2 Cl<jats:sup>–</jats:sup> has been crystallized under solvothermal conditions as turquoise block-like crystals. The central structural feature is the [V<jats:sub>6</jats:sub> <jats:sup>IV</jats:sup>As<jats:sub>8</jats:sub> <jats:sup>III</jats:sup>O<jats:sub>26</jats:sub>]<jats:sup>4–</jats:sup> cluster anion, which is composed of two trinuclear {V<jats:sub>3</jats:sub>O<jats:sub>11</jats:sub>} groups consisting of three edge-sharing VO<jats:sub>5</jats:sub> polyhedra. Pairs of pyramidal AsO<jats:sub>3</jats:sub> moieties share a common corner forming As<jats:sub>2</jats:sub>O<jats:sub>5</jats:sub> units, which interconnect the {V<jats:sub>3</jats:sub>O<jats:sub>11</jats:sub>} groups. One of the [Ni(dien)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> complexes adopts the <jats:italic>s-fac</jats:italic> (Ni1) and the second complex the <jats:italic>mer</jats:italic> configuration (Ni2). The Cl<jats:sup>−</jats:sup> anion is involved in strong hydrogen bonding interactions and links the [Ni(dien)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> complexes to form twelve-membered rings which host the [V<jats:sub>6</jats:sub>As<jats:sub>8</jats:sub>O<jats:sub>26</jats:sub>]<jats:sup>4–</jats:sup> cluster anions. The Hirshfeld surface analysis yields a detailed picture of the intermolecular interactions revealing clear differences for the two unique [Ni(dien)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> complexes. Intermolecular contacts also include As⋯H, O⋯H and H⋯H interactions. In the electronic spectrum the bands of <jats:italic>d</jats:italic>–<jats:italic>d</jats:italic> transitions of the vanadyl group and of the Ni<jats:sup>2+</jats:sup> cations overlap, preventing a detailed analysis.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140573878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Olaf Reckeweg, Francis J. DiSalvo, Robert E. Dinnebier, Christian Funk, Thomas Schleid
{"title":"From Cs[C2N3] to Cs3[C6N9] – a thermal and structural investigation","authors":"Olaf Reckeweg, Francis J. DiSalvo, Robert E. Dinnebier, Christian Funk, Thomas Schleid","doi":"10.1515/znb-2023-0101","DOIUrl":"https://doi.org/10.1515/znb-2023-0101","url":null,"abstract":"Cesium dicyanamide Cs[C<jats:sub>2</jats:sub>N<jats:sub>3</jats:sub>] (≡ Cs[N(CN)<jats:sub>2</jats:sub>] or Cs[dca]) was obtained by a metathesis reaction in form of transparent colorless platelets. The results of single-crystal X-ray structure measurements and refinements (<jats:italic>C</jats:italic>2/<jats:italic>c</jats:italic>, <jats:italic>Z</jats:italic> = 8) with the monoclinic cell parameters <jats:italic>a</jats:italic> = 932.31(8), <jats:italic>b</jats:italic> = 1274.67(9), <jats:italic>c</jats:italic> = 824.94(7) pm, <jats:italic>β</jats:italic> = 110.803(3)° at −70 °C and <jats:italic>a</jats:italic> = 939.59(7), <jats:italic>b</jats:italic> = 1281.58(8), <jats:italic>c</jats:italic> = 827.57(6) pm, <jats:italic>β</jats:italic> = 110.610(3)° at 20 °C corroborate earlier results for this compound. The Raman and IR spectra of Cs[C<jats:sub>2</jats:sub>N<jats:sub>3</jats:sub>] are presented for the first time and the result compares well with those of NaCs<jats:sub>2</jats:sub>[C<jats:sub>2</jats:sub>N<jats:sub>3</jats:sub>]<jats:sub>3</jats:sub>. The heat-driven cyclotrimerization process of Cs[C<jats:sub>2</jats:sub>N<jats:sub>3</jats:sub>] was studied by thermal analyses (DSC) and temperature-dependent X-ray powder diffraction methods. At 370 °C, its trimerization product Cs<jats:sub>3</jats:sub>[C<jats:sub>6</jats:sub>N<jats:sub>9</jats:sub>] is formed, crystallizing in the orthorhombic space group <jats:italic>Pbam</jats:italic> with the cell parameters <jats:italic>a</jats:italic> = 3043.0(3), <jats:italic>b</jats:italic> = 1052.4(1) and <jats:italic>c</jats:italic> = 415.21(4) pm for <jats:italic>Z</jats:italic> = 4. The IR spectrum of this cesium tricyanomelaminate (Cs<jats:sub>3</jats:sub>[C<jats:sub>6</jats:sub>N<jats:sub>9</jats:sub>] or Cs<jats:sub>3</jats:sub>[TCM]) is presented, but a well-resolved Raman spectrum could not be acquired owing to fluorescence phenomena. An overview about the cyclotrimerization reactions of all pseudo-binary alkali-metal dicyanamides (<jats:italic>A</jats:italic>[C<jats:sub>2</jats:sub>N<jats:sub>3</jats:sub>]) to their corresponding tricyanomelaminates (<jats:italic>A</jats:italic> <jats:sub>3</jats:sub>[C<jats:sub>6</jats:sub>N<jats:sub>9</jats:sub>]) with <jats:italic>A</jats:italic> = Li–Cs gives a basis for a discussion of the different thermal and structural characteristics.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"31 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140574048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tobias Wittemann, Halil İbrahim Sözen, Mehtap Oezaslan, Thorsten Klüner
{"title":"Ab initio calculations of the chemisorption of atomic H and O on Pt and Ir metal and on bimetallic Pt x Ir y surfaces","authors":"Tobias Wittemann, Halil İbrahim Sözen, Mehtap Oezaslan, Thorsten Klüner","doi":"10.1515/znb-2023-0087","DOIUrl":"https://doi.org/10.1515/znb-2023-0087","url":null,"abstract":"Understanding the chemisorption of atoms on precious metal surfaces is of substantial interest for the rational design of heterogeneous and electrochemical catalysts. In this study, we report density functional theory (DFT) investigations of the chemisorption of atomic H and O on bimetallic Pt<jats:sub> <jats:italic>x</jats:italic> </jats:sub>Ir<jats:sub> <jats:italic>y</jats:italic> </jats:sub>(111) surfaces for bifunctional anode catalyst materials in polymer electrolyte membrane (PEM) fuel cells. We found that for both adsorbates, the adsorption on the Pt(111) surface is in general less exothermic than on the Ir(111) surface. Our study has revealed that chemisorption on the bimetallic surfaces becomes more stable with increasing number of Ir surface atoms at the adsorption site. While for hydrogen atoms the ONTOP sites yield the most negative adsorption energies, the chemisorption of oxygen atoms appears to be most stable on the FCC sites for both the mono- and bimetallic surfaces. Using the <jats:italic>ab initio</jats:italic> thermodynamics approach, we calculated phase diagrams for the chemisorption of H and O atoms on these metal surfaces in order to transfer our findings to finite temperature and pressure conditions. Our theoretical results may provide an improved understanding of the hydrogen oxidation reaction (HOR) and oxygen evolution reaction (OER) on intermetallic Pt<jats:sub> <jats:italic>x</jats:italic> </jats:sub>Ir<jats:sub> <jats:italic>y</jats:italic> </jats:sub>(111) surfaces and may be helpful for the rational design of new bifunctional PEM fuel cell anode catalyst materials.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140573859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Marlena Volck, Bernhard Gadermaier, Volker Hennige, H. Martin R. Wilkening, Ilie Hanzu
{"title":"High-temperature all-solid-state batteries with LiBH4 as electrolyte – a case study exploring the performance of TiO2 nanorods, Li4Ti5O12 and graphite as active materials","authors":"Marlena Volck, Bernhard Gadermaier, Volker Hennige, H. Martin R. Wilkening, Ilie Hanzu","doi":"10.1515/znb-2023-0093","DOIUrl":"https://doi.org/10.1515/znb-2023-0093","url":null,"abstract":"The hexagonal high-temperature form of LiBH<jats:sub>4</jats:sub> is known as a fast ion conductor. Here, we investigated its suitability as a solid electrolyte in high-temperature all-solid-state cells when combined with the following active materials: Li metal, graphite, lithium titanium oxide (Li<jats:sub>4</jats:sub>Ti<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>, LTO), and nanocrystalline rutile (TiO<jats:sub>2</jats:sub>). First results using lithium anodes and rutile nanorods as cathode material show that a cell constructed by simple cold-pressing operates at reversible discharge capacities in the order of 125 mA h g<jats:sup>−1</jats:sup> at a <jats:italic>C</jats:italic>-rate of <jats:italic>C</jats:italic>/5 and at temperatures as high as 393 K. Besides TiO<jats:sub>2</jats:sub>, the compatibility of the LiBH<jats:sub>4</jats:sub> with other active materials such as graphite and LTO was tested. We found evidence of possible interface instabilities that manifest through rare, yet still detrimental, self-charge processes that may be relevant for hydrogen storage applications. Moreover, we investigated the long-term cycling behavior of the cells assembled and demonstrate the successful employment of LiBH<jats:sub>4</jats:sub> as an easily processable model solid electrolyte in practical test cells.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"52 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140574074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A computational characterization of N-heterocyclic carbenes for catalytic and nonlinear optical applications","authors":"Mohammad Alauddin, Mazharul M. Islam","doi":"10.1515/znb-2023-0092","DOIUrl":"https://doi.org/10.1515/znb-2023-0092","url":null,"abstract":"Very recently, N-heterocyclic carbenes (NHCs) have found a wide range of applications in the fields of catalysis and nonlinear optics. Herein, we have employed 1,3-bis-(1(<jats:italic>S</jats:italic>)-benzyl)-4,5-dihydro-imidazol-based carbene as a reference molecule and substituted one H atom from each CH<jats:sub>2</jats:sub> of the benzyl groups in both sides by CH<jats:sub>3</jats:sub>, NH<jats:sub>2</jats:sub>, and CF<jats:sub>3</jats:sub> to study the thermodynamic and opto-electronic properties of NHCs theoretically. It was observed that the enthalpy (<jats:italic>H</jats:italic>), Gibb’s free energy (<jats:italic>G</jats:italic>), specific heat capacity (<jats:italic>C</jats:italic> <jats:sub>v</jats:sub>), and entropy (<jats:italic>S</jats:italic>) increase significantly in the presence of the electron-withdrawing groups compared to the electron-donating groups. The IR active in-plane bending vibrations of the CH (NHC) group are shifted to the higher frequency region for the considered substituted molecules compared to the reference carbene. The analysis of the electronic properties shows that the CH<jats:sub>3</jats:sub>-substituted carbene is more reactive for catalytic activities compared to other NHCs. The calculated nonlinear optical (NLO) properties reveal that the NH<jats:sub>2</jats:sub>-substituted NHC has the largest hyperpolarizability value whereas the CH<jats:sub>3</jats:sub>-substituted NHC has the largest dipole moment and polarizability among all, making them potential candidates for the development of NLO materials.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"52 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140573860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Origin of extended visible light absorption in nitrogen-doped CuTa2O6 perovskites: the role of copper defects","authors":"Morten Weiss, Anja Hofmann, Roland Marschall","doi":"10.1515/znb-2023-0094","DOIUrl":"https://doi.org/10.1515/znb-2023-0094","url":null,"abstract":"The optical band gap of the semiconductor CuTa<jats:sub>2</jats:sub>O<jats:sub>6</jats:sub>, synthesised <jats:italic>via</jats:italic> solid-state reaction, can be greatly reduced by annealing in ammonia, which leads to a significant red-shift of the visible light absorption. Using X-ray photoelectron spectroscopy (XPS), we have shown that this absorption extension does not result from the incorporation of nitrogen, but can be attributed to copper defects formed under the reducing conditions of ammonia treatment. Photocatalytic hydrogen evolution experiments were used to investigate the influence of these defects on the photocatalytic performance. We have further shown that CuTa<jats:sub>2</jats:sub>O<jats:sub>6</jats:sub> with similar increased visible light absorption can be prepared by annealing with an organic reducing agent – sodium citrate – in inert gas atmosphere.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140574044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bader A. Salameh, Eman H. Al-Hushki, Wamidh H. Talib, Raed Ghanem, Fatima-Azzahra Delmani, Asma I. Mahmod
{"title":"A new class of pyrrolo[2,3-b]quinoxalines: synthesis, anticancer and antimicrobial activities","authors":"Bader A. Salameh, Eman H. Al-Hushki, Wamidh H. Talib, Raed Ghanem, Fatima-Azzahra Delmani, Asma I. Mahmod","doi":"10.1515/znb-2023-0050","DOIUrl":"https://doi.org/10.1515/znb-2023-0050","url":null,"abstract":"A series of 3-chloro-1-aryl-4-dihydro-2<jats:italic>H</jats:italic>-pyrrolo[2,3-<jats:italic>b</jats:italic>]quinoxalin-2-ones and 3-chloro-1-aryl-6,7-dimethyl-1,4-dihydro-2<jats:italic>H</jats:italic>-pyrrolo[2,3-<jats:italic>b</jats:italic>]quinoxalin-2-ones was prepared by the condensation of <jats:italic>o</jats:italic>-phenylenediamine or 4,5-dimethyl-1,2-aminobenzene with <jats:italic>N</jats:italic>-aryl-3,4-dichloro-maleimides. All the prepared quinoxalines were tested for their antitumor activity against three human cancer cell lines (prostate cells PC3, colorectal cells Caco-2, and cervical cells HeLa), and a mammalian cell line (Vero cells). The compounds were also tested for their antibacterial properties against three different bacterial cells <jats:italic>Escherichia coli</jats:italic>, <jats:italic>Bacillus spizizenii,</jats:italic> and <jats:italic>Pseudomonas aeruginosa</jats:italic>. The compounds 3c, 3d, 3g, 3h, 3i and 4a, 4b, 4h showed anti-proliferative activity against the tested cell lines. Regarding their antibacterial activity, compounds 3a, 3g, 4a, and 4h showed inhibitory activity against <jats:italic>E. coli</jats:italic>, and <jats:italic>B. spizizenii</jats:italic> only.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"146 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140573862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sophie Hund, Oscar Gómez-Cápiro, Holger Ruland, Eva M. Heppke, Martin Lerch
{"title":"Ni2Mo3N: crystal structure, thermal properties, and catalytic activity for ammonia decomposition","authors":"Sophie Hund, Oscar Gómez-Cápiro, Holger Ruland, Eva M. Heppke, Martin Lerch","doi":"10.1515/znb-2023-0071","DOIUrl":"https://doi.org/10.1515/znb-2023-0071","url":null,"abstract":"Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N was synthesized by ammonolysis of NiMoO<jats:sub>4</jats:sub>, prepared by a sol-gel-based modified Pechini route. X-ray powder diffraction measurements confirmed that Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N crystallizes in a filled <jats:italic>β</jats:italic>-Mn type (cubic space group <jats:italic>P</jats:italic>4<jats:sub>1</jats:sub>32) with a lattice parameter of <jats:italic>a</jats:italic> = 6.6338 Å. Group theoretical methods were applied to elucidate the relation between the crystal structure of Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N and that of the rock salt type. The high-temperature behavior was investigated <jats:italic>in-situ</jats:italic> by X-ray diffraction measurements in flowing ammonia gas at temperatures up to 875 °C. Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N exhibits significant catalytical activity for ammonia decomposition, which is critically discussed in comparison to literature.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"59 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140574031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}