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Acta Cryst. (1996). A52, C387
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Acta Cryst. (1984). A40, C118
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Structure refinement of high-resolution X-ray powder diffraction data of the title compound gave the composition Li1.865CoP2O7, which is also verified by the ICP measurement. Two Co sites exist in the structure: one is a CoO5 square pyramid and the other is a CoO6 octa­hedron. They share edges and are further inter­connected through P2O7 groups, forming a three-dimensional framework, which exhibits different kinds of inter­secting tunnels containing Li cations and could be of great inter­est in Li ion battery chemistry. The structure also exhibits cation disorder with 13.5% Co residing at the lithium (Li1) site. Co seems to have an average oxidation state of 2.135, as obtained from the strutural stochiometry that closely supports the magnetic susceptibility findings.

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Gray-green single crystals were obtained under high-pressure, high-temperature hydro­thermal conditions. A refinement of atom occupancies gave the composition Li3.68Cu2+Fe3+(Cu0.55Li0.45)2Fe2+0.15(PO4)4. The structure is built from triplets of edge-sharing (Cu,Li)O5-FeO6-(Cu,Li)O5 polyhedra, CuO4 quadrilaterals and PO4 tetra­hedra. In the (Cu,Li)O5 polyhedra the Cu and Li positions are statistically occupied in a 0.551 (2):0.449 (2) ratio. Both FeO6 and CuO4 polyhedra exhibit \overline1 symmetry. The positions of additional Li atoms with vacancy defects are in the inter­stices of the framework.

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The title compound, H3PO4·C3H5N2+·H2PO4-, was synthesized during an investigation of the inter­calation of imidazole into a series of VOPO4 compounds. The asymmetric unit contains two phosphate species, which are disordered H2PO4- and H3PO4, and one imidazolium cation, and has significant hydrogen bonding.

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The crystal structures of lithium bis(oxalato)borate salts solvated with water, acetonitrile, acetone, dimethoxyethane, 1,3-dioxolane and ethylene carbonate are reported.

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The title compound, (C4H12N)4[V2O2(SO4)4], contains two independent tetra­methyl­ammonium cations, [N(CH3)4]+, and a centrosymmetric dimeric anion, [(VO)2(SO4)4]4−. The V5+ cation has a square-pyramidal environment with the oxo group at the apex.

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The ab initio determinations of the crystal structures of three alkali-metal salts A[B(C2O4)2] (A = K, Na, Li) from conventional powder diffraction data are reported.

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The crystal structure of a new lithium tin hydro­xide, Li2Sn(OH)6, is presented, showing edge- and corner-sharing Li tetrahedra and Sn octahedra. Hydro­gen bonds between the OH groups provide additional bonds in the framework.

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In the title compound, octahedrally coordinated vanadium and tetrahedral sulfate ions share corners to form layers that are held together by hydrogen bonds and by sodium ions, which are located between the layers.

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A crystal-chemical and topographical analysis is applied to vanadium oxide frameworks, in which a structural classification and a symbolic formula is suggested based on the variety of V coordination polyhedra and their one- and two-dimensional formations. Combinatorial deduction of possible structures is performed for the most common framework types.

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The crystal structure of hydrothermally prepared [Ni(NH2CH2CH2NH2)2](V6O14) was determined and appears to have disordered stacking of the vanadium oxide layers. Combinatorial analysis of the layered V6O14 structures was conducted, giving ten possible symmetry groups of the V6O14 layers.

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The title compound, octakis(tetramethylammonium) docosavanadate acetate hydrate, was synthesized and found to crystallize in the tetragonal system space group P42/n. 22 vanadium square pyramids form a barrel-shaped cluster which hosts the acetate ion; this is the first case where an organic molecule is hosted by a vanadium oxide cluster. The clusters are linked into a three-dimensional net by hydrogen bonds with water molecules. Tetramethylammonium ions fill the space between the clusters.

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The title compound was synthesized and found to crystallize in the triclinic space group P\overline{1}. The decavanadate cluster with two H atoms, [H2V10O28]4-, forms layers by hydrogen bonding with acetic acid and water of crystallization. The tetramethylammonium cations fill space between the layers.

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Monolithium ethylene glycolate, [Li(C2H5O2)], crystallizes in the orthorhombic system. Its structure was solved from single-crystal data with a final R = 0.036. The O atoms of the bridging and chelating ethylene glycol ligands form tetrahedra around the Li atoms, and these tetrahedra form layers by sharing corners and edges. Hydroxyl groups form hydrogen bonds within the layer. The layers are held together only by van der Waals forces.

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Rietveld refinement of a new layered molybdate from the [MonO3n+1]2- series, (NH3CH3)2[Mo7O22], showed that the molybdenum coordination polyhedra are significantly distorted octahedra. The methylammonium cations are incorporated between the layers.

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Tetramethylammonium trivanadium heptaoxide crystallizes in the monoclinic space group P21/n when prepared hydrothermally. Its structure was solved from conventional X-ray powder diffraction with final R(Bragg) = 0.052, R(prof) = 0.078. Vanadium coordination polyhedra are square pyramids and a tetrahedron which form layers parallel to the bc plane. The tetramethylammonium cations are incorporated between the layers.

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Rietveld refinement of a new zinc divanadate, Zn3(OH)2V2O7.2H2O, shows that it has a porous framework structure assembled from layers of Zn-O octahedra joined by pyrovanadate groups. Water molecules fill the large cavities.

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The title compound, tetrakis(tetramethylammonium) bis(lithium tetrahydrate) decavanadate tetrahydrate, (C4H12N)4[Li(H2O)4]2[V10O28].4H2O, was synthesized and found to crystallize in the triclinic system (space group P\overline{1}). The centrosymmetric [V10O28]6- polyanions form layers in the ac plane by hydrogen bonding with tetrahedral [Li(H2O)4]+ cations and water molecules of crystallization. The tetramethylammonium cations fill space between the layers.

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Acta Cryst. (1996). A52, C411
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