scholarly journals Low-Temperature Ordering in the Cluster Compound (Bi8)Tl[AlCl4]3

Inorganics ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 45 ◽  
Author(s):  
Maximilian Knies ◽  
Martin Kaiser ◽  
Mai Lê Anh ◽  
Anastasia Efimova ◽  
Thomas Doert ◽  
...  
Keyword(s):  
Cluster Compound ◽  
Structure Model ◽  
X Ray Diffraction ◽  
Hexagonal Symmetry ◽  
Threefold Axis ◽  
Space Group ◽  
X Ray ◽  
A Chain ◽  
Symmetry Space ◽  
Symmetry Space Group

The reaction of Bi, BiCl3, and TlCl in the ionic liquid [BMIm]Cl·4AlCl3 (BMIm = 1-n-butyl-3-methylimidazolium) at 180 °C yielded air-sensitive black crystals of (Bi8)Tl[AlCl4]3. X-ray diffraction on single crystals at room temperature revealed a structure containing [ Tl ( AlCl 4 ) 3 ] ∞ 1 2 − strands separated by isolated Bi82+ square antiprisms. The thallium(I) ion is coordinated by twelve Cl− ions of six [AlCl4]− groups, resulting in a chain of face-sharing [TlCl12]11− icosahedra. The Bi82+ polycation is disordered, simulating a threefold axis through its center and overall hexagonal symmetry (space group P63/m). Slowly cooling the crystals to 170 K resulted in increased order in the Bi8 cluster orientations. An ordered structure model in a supercell with a’ = 2a, b’ = 2b, c’ = 3c and the space group P65 was refined. The structure resembles a hexagonal perovskite, with complex groups in place of simple ions.

Isolierte trigonale SrO6 – Prismen verknüpfen Kagome-Netze im Strontium-Manganat(IV)-Tellurat(VI): SrMnTeO6 / Kagomé Layers Connected by Isolated Trigonal SrO6 Prisms in the Strontium Manganate(IV) Tellurate(VI): SrMnTeO6 L

1998 ◽  
Vol 53 (3) ◽  
pp. 283-286 ◽  
Author(s):  
L. Wulff ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Single Crystals ◽  
Hexagonal Symmetry ◽  
Unknown Compound ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of the hitherto unknown compound SrMnTeO6 have been prepared from Sr(OH)2 ·8H2O , MnCO3(aq) and TeO2 in air by crystallization below the melt range. X-ray investigations showed hexagonal symmetry, space group D33h -P6̅2m, lattice constants a = 5.143( 1), c = 5.384(2) A, Z = 1. SrMnTeO6 is characterized by staggered [(Mn/Te)6O18] Kagome layers along [001]. These layers are connected by Sr2+ ions, resulting in SrO6 prisms isolated from each other. The structure is discussed with respect to the connection of Kagome nets in the quaternary oxides of the Ba3Ln4O9 type.

Weitere Verbindungen zum Ba6Nd2Al4O15-Typ: Ba4Nd4Zn3PtO15 und Ba4Eu4Zn3PtO15 / Further Compounds of the Ba6Nd2Al4O15 Type: Ba4Nd4Zn3PtO15 and Ba4Eu4Zn3PtO15

1998 ◽  
Vol 53 (5-6) ◽  
pp. 628-630 ◽  
Author(s):  
O. Sfreddo ◽  
Hk. Muller-Buschbaum
Keyword(s):  
Lattice Energy ◽  
Hexagonal Symmetry ◽  
Space Group ◽  
X Ray ◽  
X Ray Scattering ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Ray Scattering

Abstract The compounds Ba4Nd4Zn3PtO15; (I) and Ba4Eu4Zn3PtO15 (II) crystallize with hexagonal symmetry, space group C46V-P63mc, (I): a = 11.719(1), c = 6.778(1) Å, (II): a = 11.654(1), c = 6.778(1) Å, Z = 2. Both belong to the Ba6Nd2-. AI4O15 type when replacing 2Ba2+ by 2Ln3+ and 4Al3+ by 3Zn2+ + Pt4+. The tetrahedrally coordinated Al3+ is substituted by Zn2+, the octahedrally one by Pt4+. Due to the similarity of X-ray scattering of Ba2+ and Ln3+ the ordered replacement of Ba2+ by Ln3+ has been proven by calculations of the Coulomb terms of lattice energy.

Zur Kristallstruktur von ( Cu , Mn ) UMo3O12/On the Crystal Structure of (Cu, Mn )UMo3O12

1996 ◽  
Vol 51 (3) ◽  
pp. 450-452 ◽  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Lattice Energy ◽  
Oxidation States ◽  
Hexagonal Symmetry ◽  
Space Group ◽  
X Ray ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of (Cu,Mn)UMo3O12 have been prepared in sealed copper tubes. X-ray investigations lead to hexagonal symmetry, space group C6h2-P63/m a = 9.7895 (13), c = 6.202(1) Å , z = 2. (Cu,Mn)UMo3O12 is isotypic to CdThMo3O12. Calculations of the Coulomb terms of lattice energy with respect to different oxidation states of copper, molybdenum and uranium and the previously described pair of isotypic compounds of CdThMo3O12 to Na2ThRe6O24 are discussed.

Synthese und Kristallstruktur der ersten zinkhaltigen Pyroborate Ni1,5Zn0,5(B2O5) und Co1,5Zn0,5(B2O5) / Synthesis and Crystal Structure of the First Zinc Containing Pyroborates Ni1,5Zn0,5(B2O5) and Co1,5Zn0,5(B2O5)

1995 ◽  
Vol 50 (10) ◽  
pp. 1445-1449 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Oxygen Coordination ◽  
Octahedral Oxygen ◽  
Symmetry Space ◽  
Symmetry Space Group

The first zinc containing pyroborates Ni1,5Zn0,5(B2O5) (A ) and Co1,5Zn0,5(B2O5) (B) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction and showed triclinic symmetry, space group Ci1-P1̅. The structures are isotypic to Co2(B2O5) with the lattice parameters (A ) a = 331.28(6), b = 613.87(11), c = 922.2(2), α = 104.067(11) °, β = 90.672(13) °, γ = 92.413(12) ° and (B) a = 315.89(2), b = 612.84(6), c = 927.72(6), α = 104.103(7) °, β = 91.020(6) °, γ = 92.540(7) °, Z = 2. All metal point positions show an octahedral oxygen coordination and a partly statistical distribution of Zn2+ and Ni2+ or Co2+, respectively. Isolated nearly planar B2O5 units connect ribbons consisting of edge sharing metal octahedra.

Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von MnII,2MnIII(BO3)O2 und MnIISrMnIII(BO3)O3 / New Insights into the Stabilization of the Hulsite Structure During Crystal Structure Determination of MnII2MnIII(BO3)O2 and MnIISrMnIII(BO3)O2

1996 ◽  
Vol 51 (10) ◽  
pp. 1433-1438 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Oxygen Coordination ◽  
Octahedral Oxygen ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

The compounds MnII2MnIII(BO3)O2 (I) and MnIISrMnIII(BO3)O2 (II) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction. I showed orthorhombic symmetry, space group D92h - Pbam (No. 55), a = 926.0; b = 1241.5; c = 304.96pm ; Z = 4 and II monoclinic symmetry, space group C12h - P2/m (No. 10), a = 1107.5; b = 311.04; c = 542.93 pm, β = 95,10(2)°; Z = 2. MnII2MnIII(BO3)O2 i is isotypic with the mineral Ludwigite while MnnIISrMnmIII(BO3)O2 is isostructural with the mineral Hulsite. In the structure of MnII2Mnlll(BO3)O2 (I) all metal point positions showed octahedral oxygen coordination, one point position is occupied by Mn3+ . The structure of Mnll2Sr2Mnlll2(BO3)2O4 (II) contains five octahedrally coordinated metal sites, three of them statistically occupied by Mn2+ or Mn 3+ and Sr2+. The incorperation of Sr2+ seems to be responsible for the Hulsite structure. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

scholarly journals Photoconductivity of the Single Crystals Pb4Ga4GeS12 and Pb4Ga4GeSe12

Proceedings ◽  
2020 ◽  
Vol 62 (1) ◽  
pp. 4
Author(s):  
Hadj Bellagra ◽  
Oksana Nyhmatullina ◽  
Yuri Kogut ◽  
Halyna Myronchuk ◽  
Lyudmyla Piskach
Keyword(s):  
Ternary Systems ◽  
Semiconductor Materials ◽  
Tetragonal Symmetry ◽  
Bandgap Energy ◽  
Experimental Measurements ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vertical Bridgman ◽  
Symmetry Space ◽  
Symmetry Space Group

Quaternary semiconductor materials of the Pb4Ga4GeS(Se)12 composition have attracted the attention of researchers due to their possible use as active elements of optoelectronics and nonlinear optics. The Pb4Ga4GeS(Se)12 phases belong to the solid solution ranges of the Pb3Ga2GeS(Se)8 compounds which form in the quasi-ternary systems PbS(Se)−Ga2S(Se)3−GeS(Se)2 at the cross of the PbGa2S(Se)4−Pb2GeS(Se)4 and PbS(Se)−PbGa2GeS(Se)6 sections. The quaternary sulfide melts congruently at 943 K. The crystallization of the Pb4Ga4GeSe12 phase is associated with the ternary peritectic process Lp + PbSe ↔ PbGa2S4 + Pb3Ga2GeSe8 at 868 K. For the single crystal studies, Pb4Ga4GeS(Se)12 were pre-synthesized by co-melting high-purity elements. The X-ray diffraction results confirm that these compounds possess non-centrosymmetric crystal structure (tetragonal symmetry, space group P–421c). The crystals were grown by the vertical Bridgman method in a two-zone furnace. The starting composition was stoichiometric for Pb4Ga4GeS12, and the solution-melt method was used for the selenide Pb4Ga4GeSe12. The obtained value of the bandgap energy for the Pb4Ga4GeS12 and Pb4Ga4GeSe12 crystals is 1.86 and 2.28 eV, respectively. Experimental measurements of the spectral distribution of photoconductivity for the Pb4Ga4GeS12 and Pb4Ga4GeSe12 crystals exhibit the presence of two spectral maxima. The first lies in the region of 570 (2.17 eV) and 680 nm (1.82 eV), respectively, and matches the optical bandgap estimates well. The locations of the admixture maxima at about 1030 (1.20 eV) and 1340 nm (0.92 eV), respectively, agree satisfactorily with the calculated energy positions of the defects vs. and VSe.

scholarly journals Crystal structure of Ag-exchanged levyne intergrown with erionite: Single-crystal X-ray diffraction and Molecular Dynamics simulations

2020 ◽  
Vol 105 (11) ◽  
pp. 1631-1638 ◽  
Author(s):  
Georgia Cametti ◽  
Sergey V. Churakov
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Molecular Dynamics Simulations ◽  
Exchange Process ◽  
Structural Refinement ◽  
X Ray Diffraction ◽  
Threefold Axis ◽  
Space Group ◽  
X Ray ◽  
Dynamics Simulations

Abstract The modification of natural zeolites via ion exchange is an efficient technique used to improve their performances and tune their properties for specific applications. In this study, a natural levyne-Ca intergrown with erionite was fully exchanged by Ag+ and its structure [with idealized chemical composition Ag6(Si,Al)18O36·18H2O] was investigated by combining a theoretical and experimental approach. Single-crystal X-ray diffraction data demonstrated that Ag-levyne maintained the R3m space group, characteristic of the natural levyne. Ag ions distribute over partially occupied sites along the threefold axis and, differently from the pristine material, at the wall of the 8-membered ring window of the lev cavity. The lack of ~30% of Ag ions that could not be located by the structural refinement is ascribed to the strong disorder of the extraframework occupants. The structural results obtained by Molecular Dynamics simulations are in overall agreement with the experimental data and showed that, on average, Ag+ is surrounded by ~2 H2O and 1 framework oxygen at distances between 2.43 and 2.6 Å. Molecular Dynamics trajectories indicate that the occurrence of silver inside the D6R cage depends on the water content: silver occupancy of D6R cages is estimated to be 83, 30, and 0% when the structure contains 3, 2.5, and 2 H2O per Ag ion, respectively. The cation-exchange process, as demonstrated by scanning electron microscopy and energy-dispersive spectroscopy (SEM-EDS) spectrometry, affects the intergrown erionite as well. A structural characterization of the Ag-erionite phase (with dimension <100 μm) was possible by means of a CuKα micro-focus source: structure solution pointed to P63/mmc space group, indicating no change with respect to natural erionite. In agreement with previous studies, K ions in the cancrinite cage could not be exchanged, whereas Ag+ is found in the eri cavity.

Synthesis and crystallographic studies of two new 1,3,5-triazines

2020 ◽  
Vol 76 (4) ◽  
pp. 322-327
Author(s):  
Emmanuel Blas Patricio-Rangel ◽  
Margarita Tlahuextl ◽  
Hugo Tlahuext ◽  
Antonio Rafael Tapia-Benavides
Keyword(s):  
Noncovalent Interactions ◽  
Synthesis And Characterization ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Positional Disorder ◽  
Hydrated Salt ◽  
Symmetry Space ◽  
Symmetry Space Group

The synthesis and characterization of two new 1,3,5-triazines containing 2-(aminomethyl)-1H-benzimidazole hydrochloride as a substituent are reported, namely, 2-{[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl}-1H-benzimidazol-3-ium chloride, C11H9Cl2N6 +·Cl− (1), and bis(2,2′-{[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]bis(methylene)}bis(1H-benzimidazol-3-ium)) tetrachloride heptahydrate, 2C19H18ClN9 2+·4Cl−·7H2O (2). Both salts were characterized using single-crystal X-ray diffraction analysis and IR spectroscopy. Moreover, the NMR (1H and 13C) spectra of 1 were obtained. Salts 1 and 2 have triclinic symmetry (space group P-1) and their supramolecular structures are stabilized by hydrogen bonding and offset π–π interactions. In hydrated salt 2, the noncovalent interactions yield pseudo-nanotubes filled with chloride anions and water molecules, which were modelled in the refinement with substitutional and positional disorder.

Über das Oxomolybdat AgKCu3Mo4O16 mit Silber in siebenfacher Koordination / About the Oxomolybdate AgKCu3Mo4O16 with Silver in Seven-Fold Coordination

1995 ◽  
Vol 50 (2) ◽  
pp. 252-256 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Monoclinic Symmetry ◽  
Space Group ◽  
X Ray ◽  
Silver Copper ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of AgKCu3Mo4O16 have been prepared by crystallization from melts and investigated by X-ray diffractometer techniques. This compound crystallizes with monoclinic symmetry, space group C2h5 - P21/c, a = 5.056(1), b = 14.546(4), c = 19.858(9) Å, β = 86.64(5)°, Z = 4. The crystal structure of AgKCu3Mo4O16 is closely related to K2Cu3Mo4O16 showing ribbons of edge-sharing CuO6 and AgO7 polyhedra. The ribbons are linked by tetrahedrally coordinated molybdenum and K2O10 groups. Another kind of MoO4 tetrahedra occupies the cavities inside the ribbons. The crystal structure and the coordination of silver, copper, potassium and molybdenum by oxygen are discussed with respect to K2Cu3Mo4O16.

Crystal Structure of the New Phosphate AgMnPO4

2009 ◽  
Vol 64 (7) ◽  
pp. 875-878 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Etienne Gaudin ◽  
Jacques Darriet
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Reaction Route ◽  
X Ray ◽  
Solid State Reaction Route ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Silver Atoms

The new compound AgMnPO4 has been synthesized by a solid-state reaction route. Its crystal structure was determined from single-crystal X-ray diffraction data. AgMnPO4 crystallizes with triclinic symmetry, space group P1̄, a = 9.6710(6), b = 5.695(2), c = 6.629(3) Å , α = 102.55(3), β = 105.85(2), γ = 80.70(2)◦, and Z = 4. Its structure is built up from MnO6, MnO5 and PO4 polyhedra forming tunnels filled with silver atoms.

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