scholarly journals New compounds of the Li2MSn3S8 type

2020 ◽  
Vol 75 (6-7) ◽  
pp. 625-631
Author(s):  
Eva M. Heppke ◽  
Shamini Mahadevan ◽  
Martin Lerch
Keyword(s):  
General Formula ◽  
Powder Diffraction ◽  
Spinel Type ◽  
X Ray ◽  
Wyckoff Position ◽  
Closest Packing ◽  
Annealing Step ◽  
Sulfide Ions ◽  
New Compounds ◽  
Tetrahedral Voids

AbstractThe substitution of Cu/Ag by lithium in complex thiospinels with the general formula AI2BIICIV3XVI8 was achieved by ball milling and a subsequent annealing step in an atmosphere of H2S. Four hitherto unknown compounds Li2MSn3S8 with M = Mg, Mn, Fe, Ni were obtained without side phases and have been structurally investigated. From X-ray powder diffraction experiments, space group Fd$\overline{3}$m and a spinel-type structure are suggested. In these so-called normal spinels, lithium occupies one eighth of the tetrahedral voids (Wyckoff position 8a) of the cubic closest packing of the sulfide ions whereas M and Sn can be found on one half of the octahedral voids (Wyckoff position 16d).

Subsolidus Phasenbeziehungen in den Systemen MgGa2S4-MgCr2S4 und MgGa2S4-MgIn2S4 / Subsolidus Phase Relationships in the Systems MgGa2S4-MgCr2S4 and MgGa2S4-MgIn2S4

1996 ◽  
Vol 51 (4) ◽  
pp. 457-460 ◽  
Author(s):  
H. Haeuseler ◽  
W. Cordes
Keyword(s):  
Powder Diffraction ◽  
Layered Materials ◽  
Subsolidus Phase ◽  
Spinel Type ◽  
X Ray ◽  
Olivine Structure ◽  
New Compounds ◽  
Phase Relationships

Abstract The title systems have been investigated on samples quenched at 700, 800 and 1000 °C. Five new compounds have been obtained and characterized by X-ray powder diffraction: Spinel type MgGa0.2Cr1.8S4, two compounds crystallizing in the olivine structure, MgGaCrS4 and MgGaInS4, and two layered materials, MgGa1.5Cr0.5S4 and MgGa1.5In0.5S4. Lattice para­ meters and phase widths of the compounds are given.

X-ray Structure Refinement and Vibrational Spectroscopy of Ca8Gd2 (PO4)6 O2

2013 ◽  
Vol 12 (10) ◽  
pp. 719-726
Author(s):  
R. Ayadi ◽  
Mohamed Boujelbene ◽  
T. Mhiri
Keyword(s):  
Solid State ◽  
General Formula ◽  
Vibrational Spectroscopy ◽  
Powder Diffraction ◽  
Infrared Spectra ◽  
Solid State Reaction ◽  
Structure Refinement ◽  
Unit Cell ◽  
Cell Group ◽  
X Ray

The present paper is interested in the study of compounds from the apatite family with the general formula Ca10 (PO4)6A2. It particularly brings to light the exploitation of the distinctive stereochemistries of two Ca positions in apatite. In fact, Gd-Bearing oxyapatiteCa8 Gd2 (PO4)6O2 has been synthesized by solid state reaction and characterized by X-ray powder diffraction. The site occupancies of substituents is0.3333 in Gd and 0.3333 for Ca in the Ca(1) position and 0. 5 for Gd in the Ca (2) position.  Besides, the observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses.

Crystal Structures of New Compounds Na0.5Sm4.5Ti4O15 and Na0.5Eu4.5Ti4O15

2011 ◽  
Vol 415-417 ◽  
pp. 468-471
Author(s):  
Qiao Hong Yu ◽  
Zheng Fa Li ◽  
Yong Xiang Li ◽  
Ping Zhan Si ◽  
Jiang Ying Wang ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ordinary Temperature ◽  
Europium Titanate ◽  
New Compounds

New compounds of sodium samarium titanate Na0.5Sm4.5Ti4O15and sodium europium titanate Na0.5Eu4.5Ti4O15were synthesized successfully by solid state reaction at 1300 oC and 1200 oC, respectively. The lattice parameters of Na0.5Sm4.5Ti4O15and Na0.5Eu4.5Ti4O15were determined at ordinary temperature by using X-ray powder diffraction method. Their Lattice types were determined, and their patterns were indexed. Polycrystalline X-ray diffraction data of sodium samarium titanate were listed. Differences of their crystal structures were analyzed and discussed.

X-ray powder diffraction data for two new compounds (NH4)1.5Ni2V2O7(OH)1.5 · H2O and (NH4)1.5Cu1.125Ni1.125V2O7(OH)2 · H2O

2011 ◽  
Vol 26 (S1) ◽  
pp. S51-S54
Author(s):  
Johana Arboleda ◽  
Adriana Echavarría
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Thermogravimetric Analysis ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Compounds ◽  
Scanning Electron

Two new bimetallic and trimetallic compounds (NH4)1.5Ni2V2O7(OH)1.5 · H2O and (NH4)1.5Cu1.125 Ni1.125V2O7(OH)2 · H2O were synthesized by hydrothermal method and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and X-Ray fluorescence (XRF). Crystallographic studies showed that both compounds are hexagonal with space group P-62c.

Hydrogen Desorption Reactions of the Na-Mg-B-H System

2010 ◽  
Vol 72 ◽  
pp. 164-169 ◽  
Author(s):  
Daphiny Pottmaier ◽  
Sebastiano Garroni ◽  
Maria Dolors Barò ◽  
Marcello Baricco
Keyword(s):  
Solid State ◽  
Research And Development ◽  
Ball Milling ◽  
Powder Diffraction ◽  
Hydrogen Desorption ◽  
X Ray ◽  
New Compounds ◽  
Desorption Reaction

Hydrogen storage in the solid state has shown increasing research and development, and recently an approach in mixing two hydride systems together by ball milling (reactive hydride composites) has been investigated in more detail, e.g. NaBH4 plus MgH2. Thermodynamic destabilization may occur by new compounds formation during dehydrogenation, e.g. MgB2. A study of the the role of O2/H2O contamination for the reaction 2NaBH4 + MgH2 ↔ 2NaH + MgB2 + 4H2 was conducted using in-situ X-ray powder diffraction. Desorption reaction is observed to begin by a competition of MgH2 and NaBH4 decomposition due to higher reactivity promoted by ball milling processing summed to O2/H2O contamination. Oxidation of NaBH4 into NaBO2 is observed to happen in higher degree than MgH2/Mg into MgO for the Na-Mg-B-H system.

Interaction of the Components in the {Ce, Gd}-{Ti, Zr}-Sb Systems

2019 ◽  
Vol 289 ◽  
pp. 3-11
Author(s):  
Oleksandr Senchuk ◽  
Roman E. Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Ternary Systems ◽  
The Other ◽  
Powder Diffraction Data ◽  
Isothermal Sections ◽  
X Ray ◽  
Ternary Compounds ◽  
New Compounds

The phase equilibria in the ternary systems {Ce, Gd}–{Ti, Zr}–Sb were investigated by means of X-ray powder diffraction and energy-dispersive X-ray spectroscopy. The isothermal sections of the phase diagrams at 600°C were constructed. The formation of three ternary compounds (Ce2Ti7Sb12, Ce3TiSb5, and Gd2Ti11Sb14) was confirmed in the {Ce, Gd}–Ti–Sb systems and no more ternaries were found. The investigation of the {Ce, Gd}–Zr–Sb systems revealed several new ternary compounds and confirmed the known ones. The crystal structure of the new compound Ce0.08(3)Zr1.92(3)Sb was determined from X-ray powder diffraction data. The other new compounds in the Ce–Zr–Sb system were found to have compositions close to ~CeZrSb4and ~Ce2Zr3Sb5. In the Gd–Zr–Sb system the existence of a large homogeneity range was established for the GdZrSb compound along the isoconcentrate 33.3 at.% Sb: Gd1-xZr1+xSb (x= 00.905(18) at 600°C), and a new compound, ~Gd3Zr3Sb14, was discovered. The crystal structures at the boundary compositions of the Gd1-xZr1+xSb phase were refined from X-ray powder diffraction data.

Mechanochemical preparation of copper iodide clusters of interest for luminescent devices

2014 ◽  
Vol 170 ◽  
pp. 93-107 ◽  
Author(s):  
Lucia Maini ◽  
Paolo P. Mazzeo ◽  
Francesco Farinella ◽  
Valeria Fattori ◽  
Dario Braga
Keyword(s):  
Powder Diffraction ◽  
Photophysical Properties ◽  
Solid State Reactions ◽  
Stoichiometric Ratio ◽  
Powder Diffraction Data ◽  
Copper Iodide ◽  
Aggregation State ◽  
X Ray ◽  
New Compounds

The copper iodide complexes are known for their large variety of coordination geometries. Such diversity, while making it difficult to predict the final structure, permits the preparation of a great number of copper iodide complexes based on the same ligand. The target of the research was that of thoroughly exploring the chemistry of CuI and the ligand diphenyl-2-pyridyl phosphine (PN) by varying the stoichiometric ratio and/or the aggregation state. Six different compounds have been identified: [Cu4I4(PN)2], [Cu4I4(PN)2·(CH2Cl2)0.5], [CuI(PN)0.5]∞, [CuI(PN)3] whose structures have been determined during this study, CuI(PN)2which was characterized by powder diffraction and [Cu2I2(PN)3] which has been already reported. The preparation routes are also different: synthesis in solution yielded [Cu4I4(PN)2·(CH2Cl2)0.5] and [CuI(PN)3] while [CuI(PN)0.5]∞and CuI(PN)2were obtained onlyviasolid state reactions. These two latter examples confirmed that mechanochemistry is a valid route to explore the landscape of the possible structures of CuI derivatives. Crystallization by traditional solution procedures failed to give the desired crystal, so structure determination of the new compounds was tackled in two ways: by attempting crystal growthviasolvothermal synthesis and by resolving the structure from X-ray powder diffraction data with “direct space” methods. What is more the photophysical properties of the complexes that could be obtained as sufficiently pure powders have also been investigated and are reported herein.

scholarly journals Structural Chemistry of Halide including Thallides A8Tl11X1−n (A = K, Rb, Cs; X = Cl, Br; n = 0.1–0.9)

Crystals ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 319 ◽  
Author(s):  
Stefanie Gärtner ◽  
Susanne Tiefenthaler ◽  
Nikolaus Korber ◽  
Sabine Stempfhuber ◽  
Birgit Hischa
Keyword(s):  
Alkali Metal ◽  
Single Crystal ◽  
Powder Diffraction ◽  
Moisture Sensitivity ◽  
Metal Compounds ◽  
X Ray ◽  
Extra Electron ◽  
Alkali Metal Compounds ◽  
New Compounds ◽  
Insight Into

A8Tl11 (A = alkali metal) compounds have been known since the investigations of Corbett et al. in 1995 and are still a matter of current discussions as the compound includes one extra electron referred to the charge of the Tl117− cluster. Attempts to substitute this additional electron by incorporation of a halide atom succeeded in the preparation of single crystals for the lightest triel homologue of the group, Cs8Ga11Cl, and powder diffraction experiments for the heavier homologues also suggested the formation of analogous compounds. However, X-Ray single crystal studies on A8Tl11X to prove this substitution and to provide a deeper insight into the influence on the thallide substructure have not yet been performed, probably due to severe absorption combined with air and moisture sensitivity for this class of compounds. Here, we present single crystal X-Ray structure analyses of the new compounds Cs8Tl11Cl0.8, Cs8Tl11Br0.9, Cs5Rb3Tl11Cl0.5, Cs5.7K2.3Tl11Cl0.6 and K4Rb4Tl11Cl0.1. It is shown that a (partial) incorporation of halide can also be indirectly determined by examination of the Tl-Tl distances, thereby the newly introduced cdd/cdav ratio allows to evaluate the degree of distortion of Tl117− clusters.

scholarly journals Phase Transitions in the “Spinel-Layered” Li1+xNi0.5Mn1.5O4 (x = 0, 0.5, 1) Cathodes upon (De)lithiation Studied with Operando Synchrotron X-ray Powder Diffraction

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1368
Author(s):  
Oleg A. Drozhzhin ◽  
Anastasia M. Alekseeva ◽  
Vitalii A. Shevchenko ◽  
Dmitry Chernyshov ◽  
Artem M. Abakumov ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Powder Diffraction ◽  
Volume Change ◽  
Spinel Phase ◽  
Spinel Type ◽  
Small Unit ◽  
X Ray ◽  
Practical Applications ◽  
Main Component ◽  
First Order Phase

“Spinel-layered” Li1+xNi0.5Mn1.5O4 (x = 0, 0.5, 1) materials are considered as a cobalt-free alternative to currently used positive electrode (cathode) materials for Li-ion batteries. In this work, their electrochemical properties and corresponding phase transitions were studied by means of synchrotron X-ray powder diffraction (SXPD) in operando regime. Within the potential limit of 2.2–4.9 V vs. Li/Li+ LiNi0.5Mn1.5O4 with cubic spinel type structure demonstrates the capacity of 230 mAh·g−1 associated with three first-order phase transitions with significant total volume change of 8.1%. The Li2Ni0.5Mn1.5O4 material exhibits similar capacity value and subsequence of the phase transitions of the spinel phase, although the fraction of the spinel-type phase in this material does not exceed 30 wt.%. The main component of Li2Ni0.5Mn1.5O4 is Li-rich layered oxide Li(Li0.28Mn0.64Ni0.08)O2, which provides nearly half of the capacity with very small unit cell volume change of 0.7%. Lower mechanical stress associated with Li (de)intercalation provides better cycling stability of the spinel-layered complex materials and makes them more perspective for practical applications compared to the single-phase LiNi0.5Mn1.5O4 high-voltage cathode material.

scholarly journals Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X-ray diffraction data

2018 ◽  
Vol 74 (4) ◽  
pp. 514-517 ◽  
Author(s):  
Dongmin Lee ◽  
Hyeri Bu ◽  
Dohwan Kim ◽  
Jooeun Hyoung ◽  
Seung-Tae Hong
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Wyckoff Position ◽  
Hydrated Calcium

The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO4)2·xH2O] at 623 K in air for 12 h. It crystallizes in the orthorhombic space group Pbca and is isotypic with Ca(AlD4)2. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO4 − tetrahedra and Ca2+ cations. The Ca2+ cation is coordinated by eight O atoms of eight symmetry-related ClO4 − tetrahedra within a distorted square-antiprismatic environment.

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