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  • 1.
    Becker, Richard
    et al.
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Prester, Mladen
    Berger, Helmuth
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Drobac, Djuro
    Zivkovic, Ivica
    Crystal structure and magnetic properties of the new cobalt tellurite halide Co5(TeO3)4X2 (X = Cl, Br)2007In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 9, no 3-4, p. 223-230Article in journal (Refereed)
    Abstract [en]

    Two new cobalt tellurite halides Co5(TeO3)4Cl2 and Co5(TeO3)4Br2 have been synthesized and found to be iso-structural with Ni5(TeO3)4X2 (X = Cl, Br). Co5(TeO3)4X2 crystallizes in the monoclinic system space group C2/c, and the Br-phase has the lattice parameters a = 20.440(1) Å, b = 5.2760(2) Å, c = 16.4710(7) Å, β = 124.790(5)°, and Z = 4. The crystal structures were solved from single-crystal X-ray data, R1 = 1.90 and 1.77, respectively, for the Cl- and Br-phases. The crystal structure is layered with only weak van der Waals' interactions in between the layers. The layers are built by large [Co5O16X2] groups consisting of five edge- and face-sharing Co-octahedra. Each group is connected to adjacent groups via corner sharing through common oxygen atoms as well as through [TeO3E] groups. Magnetic susceptibility measurements on oriented single crystals reveal pronounced anisotropy in a broad temperature range and clear signs of antiferromagnetic ordering at low temperatures. Anisotropic susceptibility of an iso-structural Ni-based compound was also studied and compared with the corresponding results of Co5(TeO3)4X2. Magnetic anisotropy is discussed in framework of single-ion anisotropy effects.

  • 2. Cho, Kanghee
    et al.
    Ryoo, Ryong
    Asahina, Shunsuke
    Xiao, Changhong
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Klingstedt, Miia
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Umemura, Ayako
    Anderson, Michael W.
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Mesopore generation by organosilane surfactant during LTA zeolite crystallization investigated by high-resolution SEM and Monte Carlo simulation2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 750-756Article in journal (Refereed)
    Abstract [en]

    The crystallization of LTA zeolite under a hydrothermal synthesis condition that contained a quaternary ammonium-type organosilane surfactant was studied with X-ray powder diffraction (XRD), high-resolution scanning electron microscopy (HRSEM) and Monte Carlo simulation of the crystal growth. The hydrothermal reaction products were collected at various crystallization times, and investigated with XRD and HRSEM. The HRSEM images of the final zeolite products were taken as synthesized and also after cross-sectioning with an argon ion beam. The HRSEM investigation revealed presence of a disordered network of mesoporous channels that penetrated the microporous zeolite crystal. Unless the loading of the surfactant was exceedingly high, the microporous zeolite particles exhibited truncated cubic morphologies that were almost like single crystals, despite penetration by the mesopores. The outline of the zeolite particle became progressively rounded as the mesoporosity was increased according to the surfactant loading. The mesoporosity in the zeolite crystals was well maintained against crystal-ripening processes for 6 d. This result supports the fact that the organosilane surfactant micelles became incorporated inside the zeolite crystal as a mesopore generator during the crystallization process. Data from Monte Carlo simulation agreed with these experimental results.

  • 3.
    Eden, Mattias
    et al.
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Physical Chemistry.
    Grins, Jekabs
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Inorganic Chemistry.
    Jansson, Kjell
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Shen, Zhijian
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Materials Chemistry.
    Al and O substitutions in BaS-phases, Ba2AlxSi12-xN16-xO2+x: A TEM, XRD and solid-state NMR study2008In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 10, no 1, p. 50-60Article in journal (Refereed)
    Abstract [en]

    In a series of Ba-based oxonitrido-silicate S-phases (Ba2AlxSi12-xN16-xO2+x) spanning a compositional range up to x approximate to 3, we examine the incorporation of Al and O by Si-29 and Al-27 magic-angle spinning (MAS) solid state nuclear magnetic resonance (NMR) and Al-27 triple-quantum MAS (3QMAS). The 3QMAS spectra reveal Al-27 signals from two distinct structural environments, assigned to AlN4 or AlN3O tetrahedra, respectively, and with their relative amounts depending on the S-phase substitution parameter x. Si-29 NMR show variable fractions of SiN4 and SiN3O environments. The NMR results accord overall with a structural substitution model for which O enters at one crystallographic position (occupied according to N4-xOx), in conjunction with a random Al for Si substitution at two distinct crystallographic positions. This leads to S-phase frameworks built from SiN4, SiN3O, AlN4 and AlN3O tetrahedra.

  • 4. Eriksson, Annika K.
    et al.
    Tran, Thuy
    Stockholm University, Faculty of Science, Department of Analytical Chemistry.
    Saxin, S
    Svensson, Gunnar
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Effects of A-site substitution on the structure and magnetic properties of Bi0.15Sr0.85-yAeyCo1-xFexO3-? perovskites2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, no 11, p. 1945-1954Article in journal (Refereed)
    Abstract [en]

    The effects of partial substitution of Sr2+ by Ca2+ and Ba2+ on the A-site of oxygen deficient perovskites, Bi0.15Sr0.85-yAeyCo1-xFexO3-?, where y = 0.29 for Ae = Ba and y = 0.17 for Ae =  Ca, and 0.0 ? x ? 1.0, have been investigated. The differing ionic size of the Ca2+ and Ba2+ cations influences both the crystal structure and the properties of the materials. The smaller Ca2+ cation favoured formation of an oxygen vacancy ordered perovskite superstructure (I4/mmm, a = 2ap, c = 4ap), meanwhile the presence of the larger Ba2+ cation promoted a disordered simple cubic structure (Pm-3m, a = ap) that was also found for all Fe containing samples, i.e. x ? 0.25. The samples were studied with PXRD, NPD, TGA, HREM and magnetic susceptibility measurements. All as-prepared samples exhibited long range G-type antiferromagnetic ordering. The effect of oxygen annealing was dramatic for the Bi0.15Sr0.68Ca0.17Co1-xFexO3-? series with a disappearance of magnetic order for x ? 0.25 linked to increasing spin glass properties. The oxygen content of the Bi0.15Sr0.56Ba0.29Co1-xFexO3-? as-prepared materials was generally higher than their Ca substituted counterparts, and the long range antiferromagnetic order was more resistant to oxygen annealing.

  • 5.
    Fredrickson, Rie Takagi
    et al.
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Hjelmqvist, Daisy Torino
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Lidin, Sven
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Helical chains of [MO5Cl] octahedra – Three compounds in the new family AEM2Te3O8Cl2 (AE = Ca, Sr and M = Co, Ni):  2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, no 1, p. 13-17Article in journal (Refereed)
    Abstract [en]

    The compounds CaCo2Te3O8Cl2, SrCo2Te3O8Cl2 and SrNi2Te3O8Cl2 were synthesized via solid–gas reactions and investigated using single-crystal X-ray diffraction. While the compound CaCo2Te3O8Cl2 formed large enough single crystals to allow for a detailed structural analysis, crystals of the Sr-containing compounds yielded evidence that they are isostructural. CaCo2Te3O8Cl2 crystallizes in the monoclinic system, space group P21/c, a = 6.537(2) Å, b = 9.088(2) Å, c = 19.500(9) Å, β = 113.36(4)°, Z = 4. It exhibits [CoO5Cl] helical chains along the [010] direction, connected by [CaO8] polyhedra, [TeO3E] tetrahedra and [TeO4E] trigonal bipyramids (the lone pair of electrons on TeIV is designated as E) to form a layer. The layers are held together only by weak van der Waals forces; the shortest interlayer distance is a TeCl contact of 3.432(4) Å.

  • 6.
    Hannerz, H
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Svensson, Gunnar
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Esmaeilzadeh, Saeid
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Grins, Jekab
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Structure and magnetic susceptibility of MnNb3O61999In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 1, p. 567-575Article in journal (Refereed)
    Abstract [en]

    The mixed valence state niobium compound MnNb3O6 was found while studying phase formations in the system MnO-Nb2O5-NbO. It is isostructural with AxNb3O6, x ≤ 1 and A = Na, Ca. Single crystals were obtained by heating MnC2O4 · 2H2O and Nb2O5 in a flow of H2 at 1300 °C. Monophasic samples were also prepared by heating stoichiometric mixtures of MnO, Nb2O5 and Nb in niobium ampoules under Ar(g) at 1100 °C. The crystal structure of MnNb3O6 (Immm, Z = 4, a = 7.1057(5), b = 10.1420(6), c = 6.5341(5) Å) was refined, using singlecrystal MoKα X-ray diffraction data, to a weighted R value of 0.018 for 329 unique reflections. The structure contains undulating layers of NbO6 octahedra of the type α2[NbO6/2]in the ac-plane, with the octahedra sharing edges along [001]and corners along [100]. Between the layers there are columns along [001]of edge-sharing square MnO8 prisms alternating with columns containing Nb2O8 clusters with an Nb-Nb distance of 2.6163(5) Å. The magnetic susceptibility shows a Curie-Weiss behaviour: χM = C/(T+θ) with θ ≈ −22 K and μeff = 6.0(1) μB for T ≥ ca. 35 K, with a small deviation from this dependence at lower temperatures, indicating Mn2+ ions with localised magnetic moments and antiferromagnetic interactions.

  • 7. Hugonin, Zuzana
    et al.
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Lidin, Sven
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
     Two for the price of one  resolvable polymorphism in a single crystalof a- and b-Sb3O4I2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, no 1, p. 24-28Article in journal (Refereed)
    Abstract [en]

    The title compound forms as biphasic single crystals containing the  and  polymorphs. The structure of both polymorphs was solved and refined from single crystal X-ray data in a simultaneous refinement. The structures consist of rods of composition Sb3O4 separated by isolated iodine ions. The two phases differ only in the next nearest neighbour arrangement. The orthorhombic -phase crystallizes in space group Pbn21, and the monoclinic -phase in space group P21/n

  • 8.
    Istomin, S. Ya.
    et al.
    Moscow State University, Department of Chemistry.
    Svensson, Gunnar
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kohler, J
    Max Planck Institute - Solid State Chemistr, Stuttgart, Germany.
    A neutron powder diffraction study of Na1-xSrxTaO3 (x=0.2 and 0.3)2002In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 4, no 2, p. 191-195Article in journal (Refereed)
    Abstract [en]

    Black powder samples of the reduced oxotantalates Na1-xSrxTaO3 x = 0.2 and 0.3 were prepared via solid state reactions from appropriate amounts of NaTaO3, Sr5Ta4O15 and Ta (99.99%) in sealed tantalum ampoules at 1500degreesC. They crystallize in variants of the perovskite type structure (a(per)). According to structural refinements from neutron powder diffraction data Na0.8Sr0.2Ta03 crystallizes orthorhombic in the GdFeO3 type structure with unit cell parameters a approximate to root2 x a(per), b approximate to 2 x a(per), c approximate to root2 x a(per) and space group Prima. The structure of the more reduced phase Na0.7Sr0.3TaO3 is tetragonal with unit cell parameters a approximate to root2 x a(per), c approximate to 2 x a(per) and space group P4/mbm.

  • 9.
    Jalilian, Ehsan
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Lidin, Sven
    Lunds universitet, Polymer- och materialkemi.
    Bis(μ3-iodo)-pentakis(μ2-iodo)-penta-copper(I) e: A fully ordered, isolated [Cu5I7]2 cluster2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 768-772Article in journal (Refereed)
    Abstract [en]

    Two new compounds, [(C4H9)4P]2[Cu5I7] and [(C4H9)4P]2[Cu5I7]·CH3COCH2OH were synthesized by solvolysis and their crystal structures were solved. The first compound is disordered, but the solvate represents the first example of a fully ordered [Cu5I7]2− cluster. It displays a molecular symmetry very close to C2. Both compounds crystallize in space group P21/c.

  • 10.
    Kranak, Verina F.
    et al.
    Arizona State University, USA.
    Evans, Michael J.
    Daemen, Luke L.
    Proffen, Thomas
    Lee, Myeong H.
    Sankey, Otto F.
    Häussermann, Ulrich
    Arizona State University, USA.
    Structural and dynamic properties of the polyanionic hydrides SrAlGeH and BaAlGeH2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, no 11, p. 1847-1853Article in journal (Refereed)
    Abstract [en]

    The quaternary aluminium hydrides SrAlGeH and BaAlGeH were synthesized from either hydrogenating the intermetallic AlB2-type precursors SrAlGe and BaAlGe or reacting SrH2 with a mixture of Al and Ge in the presence of pressurized hydrogen. Their structures were characterized by X-ray and neutron powder diffraction of the corresponding deuterides. The compounds crystallize with the trigonal SrAlSiH structure type (space group P3m1, Z = 1, a = 4.2435(2) and 4.3450(2) Å, c = 4.9710(3) and 5.2130(4) Å for SrAlGeH and BaAlGeH, respectively) and feature a two-dimensional polyanion [AlGeH]2− which represents a corrugated hexagon layer built from three-bonded Al and Ge atoms. H is terminally attached to Al. Polyanions [AlGeH]2− are electron precise and, according to electronic structure calculations, the quaternary hydrides display band gaps with sizes between 0.7 and 0.8 eV. Infrared and inelastic neutron scattering spectroscopy show Al–H stretching and bending mode frequencies at around 1250 and 870 cm−1, respectively. SrAlGeH and BaAlGeH are thermally stable up to at least 500 °C. When exposed to air the hydrides decompose rapidly to amorphous, orange colored materials.

  • 11.
    Lidin, Sven
    et al.
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Hugonin, Zuzana
    Modulations in the Onoratoite system2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, p. 1198-1205Article in journal (Refereed)
    Abstract [en]

    The iodide form of the mineral onoratoite was synthesized, and like the Cl and Br based analogs, it displays super structure ordering, but for the iodide, the super structure is clearly incommensurate.  Due to the poor quality of crystals attainable, the structure was solved by converting the soln. of the Cl analog to a super space formalism, and then using the structural elements from this soln. to model the iodide. The structure is triclinic, crystg. in the 3+1d super space group P-1

  • 12. Ohsuna, Tetsu
    et al.
    Sakamoto, Yasuhiro
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kuroda, Kazuyuki
    TEM image simulation of mesoporous crystals for structure type identification2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 736-744Article in journal (Refereed)
    Abstract [en]

    Software, MesoPoreImage, for transmission electron microscope (TEM) image simulation of mesoporous crystals was developed. MesoPoreImage provides two-dimensional (2D) projected potential distributions along any directions as well as corresponding 2D TEM images calculated from a three-dimensional (3D) density distribution of an ideal mesoporous structure. In order to adjust the contrast of simulated TEM images to that observed, a parameter representing surface roughness on the pore surface is introduced. Simulated TEM images of four typical silica mesoporous crystals, MCM-48, AMS-10, SBA-16 and SBA-6 are shown and compared with observed ones, which shows the usefulness of the software for identification of the mesoporous structure type. A procedure for the identification of structure types of mesoporous crystals by using TEM and the simulation software is fully described.

  • 13. Sakamoto, Yasuhiro
    et al.
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    A layer stacking with large repeating unit in multi-modal cage-type anionic-surfactant-templated silica mesoporous crystal2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 762-767Article in journal (Refereed)
    Abstract [en]

    Cage-type anionic-surfactant-templated silica mesoporous crystals display rich structural diversity. Among them, cage-type mesoporous crystals with tetrahedrally close-packed (tcp) structures can be described by four types of polyhedron, 5(12), 5(12)6(2), 5(12)6(3) and 5(12)6(4). We have found new stacking sequences as a minor phase coexisting with an Fd (3) over barm structure, and have characterized their structures using transmission electron microscopy (TEM). The new stacking sequences can be explained by the stacking of three kinds of layer based on a description of the polyhedra. Two of the layers consist of two kinds of polyhedron, 5(12) and 5(12)6(4), and these two layers are also the constituents of the Fd (3) over barm structure. The other layer consists of two different kinds of polyhedron, 5(12)6(2) and 5(12)6(3), corresponding to layer z, which were introduced in our recently published papers [e.g. Y. Sakamoto, et at, Chem. Mater. 21 (2009)223]. We have observed that one of the new stacking sequences, with a large repeating unit, contains these three layers and bears a close resemblance to one of the Frank Kasper phases with rhombohedral symmetry, known as is-phase.

  • 14.
    Stevens, Sam M.
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Loiola, Adonay R.
    Cubillas, Pablo
    da Silva, Lindomar R. D.
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Anderson, Michael W.
    Hierarchical porous materials: Internal structure revealed by argon ion-beam cross-section polishing, HRSEM and AFM2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 745-749Article in journal (Refereed)
    Abstract [en]

    High-resolution scanning electron microscopy coupled with argon ion-beam cross-section polishing and atomic force microscopy were used to reveal details about the interconnectivity of meso- and macroporous networks in silica hierarchical porous material. The material studied has ordered macro- and mesoporosity as well as a disordered microporosity that are created using organic templating agents. Latex spheres template the macro- porosity, mesophase self-assembly of block co-polymers template the mesoporosity and individual polymer chains template the microporosity. By polishing this composite material with an argon ion beam it is possible to reveal the internal structure with minimal structural damage. Direct imaging of the mesoporous network within such cross sections is possible using high-resolution scanning electron microscopy. These observations demonstrate a lack of interconnectivity between the mesoporous and macroporous networks.

  • 15. Togashi, N.
    et al.
    Sugiyama, K.
    Yu, J.
    Qiu, S.
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    Single crystal structure analysis of the Se-incorporated mordenite, coupled with the anomalous X-ray scattering2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, p. 684-690Article in journal (Refereed)
    Abstract [en]

    Mordenite has one-dimensional 8-ring and 12-ring channels running parallel to the c-axis and Se molecules were successfully incorporated into the mordenite channels through a vapor phase after dehydration. The structure of the Se-incorporated mordenite was analyzed by single crystal X-ray diffraction coupled with anomalous X-ray scattering (AXS). The AXS analysis confirmed the Se distribution in the 12-ring channels only, by analyzing the intensity contrast observed at the Se K-absorption edge. And this environmental structure information allows us to improve the structural analysis of the ordinary single crystal X-ray diffraction. The present analysis suggested that Se molecules such as an infinite chain and its fragments were preferentially formed in the 12-ring channels together with the feasible bonding of Se-Na pairs. The location and probability of Na in the 12-ring channels are suggested to be considered as important factors affecting the probability of Se chain and its fragmentation.

  • 16.
    Zhang, Daliang
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Kremer, R.K.
    Two New Layered Oxohalides in the System Cu-Yb-Te-O-Cl2010In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 12, p. 536-540Article in journal (Refereed)
    Abstract [en]

    Two complex lanthanide(III) transition metal(II) tellurium(IV) oxyhalides, Cu3Yb2(TeO3)4Cl4 and Cu3Yb3(TeO3)4Cl6 have been synthesized and the crystal structures were determined by single-crystal X-ray diffraction. Both compounds are layered with only weak connections in between the layers. The layers are made up of [YbO8], [TeO3] and [CuOxCly] polyhedra. In both compounds the strong Lewis acid cations Yb3+ and Te4+ only form bonds to oxygen while Cu2+ form bonds to both oxygen and chlorine. This leads the Cl ions to be expelled from the bonding volumes of the crystal structures and protrude from the layers. Magnetic susceptibility measurements were performed on a powder sample of Cu3Yb2(TeO3)4Cl4. The Curie–Weiss law found at low temperatures indicates a Curie–Weiss temperature of ca. −5(1) K. However, indication for long-range magnetic ordering could not be observed down to 1.87 K. The two new phases are to the best of our knowledge the first containing all three of Cu, Yb and Te.

     

     

     

     

  • 17.
    Zimmermann, Iwan
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Johnsson, Mats
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Stacking faults in a layered cobalt tellurium phosphate oxochloride2015In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 40, p. 67-70Article in journal (Refereed)
    Abstract [en]

    The new compound Co2Te3(PO4)O6Cl was synthesized by chemical reactions in a sealed and evacuated silica tube. The crystal structure was solved from single crystal diffraction data and is made up by charge neutral layers. Within the layers two types of chains are made up by edge sharing [CoO6] and [CoO5Cl] polyhedra respectively. The chains are separated by tellurium oxide and phosphate building blocks. There are only weak Van der Waals interactions in between the layers and severe diffuse scattering is observed due to faulted stacking of the layers. Structure solutions in a P-1 triclinic cell and a larger monoclinic cell in P2(1)/c are discussed and compared to a computer generated model. The reasons for the stacking faults may be due to that there are two positions available for each layer that results in similar connectivity to the next layer in addition to the relatively wide channels in between the layers that reduce the Van der Waals interactions in between them.

  • 18. Zones, S. I.
    et al.
    Ruan, J.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Elomari, S.
    Terasaki, Osamu
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Chen, C. Y.
    Corma, A.
    Studies on zeolite SSZ-57: A structural enigma2011In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 13, no 4, p. 706-713Article in journal (Refereed)
    Abstract [en]

    In this presentation we explore the characterization and catalytic behavior of zeolite SSZ-57. It has definite structural relationships to zeolite MEL, but then significant departures in the performance details. The HREM work carried out at the Terasaki lab attempts to develop a novel theory about this seeming contradiction in structural relation and performance divergence.

  • 19. Zubkov, VG
    et al.
    Tyutyunnik, AP
    Tarakina, NV
    Svensson, Gunnar
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Forslund, Bertil
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    Synthesis, crystal structure and luminescent properties of pyrovanadates A(2)CaV(2)O(7) (A = Rb, Cs)2009In: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 11, no 3, p. 726-732Article in journal (Refereed)
    Abstract [en]

    The novel vanadium oxides Rb2CaV2O7 and Cs2CaV2O7 have been prepared by solid-state reaction and their crystal structures determined and refined using X-ray, neutron powder and electron diffraction data. Rb2CaV2O7 and Cs2CaV2O7 are isostructural, crystallizing in space group P21/n with unit cell parameters: a = 13.8780(1), b = 5.96394(5), c = 10.3376(1) Å, ? = 104.960(1)º and a = 14.0713(2), b = 6.0934(1), c = 10.5944(1) Å, ? = 104.608(1)º, respectively. Their crystal structures can be described as a framework of CaO6 octahedra and V2O7 pyrogroups with alkaline metals found in the tunnels formed. Photoluminescence (PL) and PL excitation spectra of the concerned pyrovanadates have been studied in the vacuum ultraviolet (VUV) to visible light (VIS) range as well as their pulse cathode luminescence (PCL) spectra and the kinetic parameters of PCL. In the PL and the PCL spectra of both pyrovanadates recorded at T = 300 K a broad band with maxima at 2.38, 2.2 eV and a shoulder (band) at 2.08 eV have been observed. At T = 10 K the band at 2.08 eV becomes the main band in the spectra. Two types of luminescence centers for each pyrovanadates, with very similar excitation bands at 3.75, 4.84, 6.2, 7.3 and 9.1 eV, have been found. The nature of the luminescence centers connected with the band 2.08 eV (center I) and the bands 2.2 and 2.38 eV (center II) is discussed

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