Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[Bφ]}-clusters.

Solvothermal reaction of magnesium nitrate and boron oxide in ,-dimethylformamide produced a number of particularly complex supramolecular magnesium borates. Five topologically different types of negatively charged {Mg@[Bφ]}-clusters, φ = O, OH, were observed with the magnesium cation as a core and octadecaborate anions as shells. The clusters assemble common borate polyhedra forming 1D chains, a 2D mesoporous layer, and 3D mesoporous frameworks with an effective channel width of up to 16 Å.

Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit.

This paper reports an investigation of the chemistry, crystal structure refinement and thermal behavior (80-1650 K) of ludwigite from the Iten'yurginskoe deposit (Eastern Chukotka, Russia). Its chemical composition was determined by electron microprobe analysis, giving an empirical formula (MgFeMn)(FeAlMg)O(BO). A refinement of the crystal structure from single-crystal X-ray diffraction data (SCXRD) was provided for the first time for ludwigite from this deposit (R = 0.

AgBOX (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity.

Using glass crystallization and solid-state techniques, we were able to complete the family of salt-inclusion silver halide borates, AgBOX, by the X = Cl and I members. The new compounds are characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, optical spectroscopy, and density functional theory calculations. In all structures, the silver atoms exhibit strong anharmonicity of thermal vibrations, which could be modeled using Gram-Charlier expansion, and its asymmetry was characterized by the skewness vector.

The first bismuth borate oxyiodide, BiBOI: commensurate or incommensurate?

The first bismuth borate oxyiodide, BiBOI, has been prepared by solid-state reaction in evacuated silica ampoules. Its crystal structure [space group Immm(00γ)000] comprises litharge-related layers of edge-sharing OBi tetrahedra; the interlayer space is filled by I and [BO] anions. The wavevector, q = 0.

Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [OM] and [OM] oxocentred polyhedra by in situ high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis.

The investigation of elemental composition, crystal structure and thermal behavior of vonsenite and hulsite from the Titovskoe boron deposit in Russia is reported. The structures of the borates are described in terms of cation-centered and oxocentred polyhedra. There are different sequences of double chains and layers consisting of oxocentred [OM] tetrahedra and [OM] tetragonal pyramids forming a framework.

The novel borate LuBaBO with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion.

Single crystals of LuBaBO were obtained by cooling from a melt and polycrystals of the borate were prepared using a multi-step solid-state synthesis. The crystal structure was determined from single-crystal X-ray diffraction data. The borate crystallizes in a new structure type in the monoclinic crystal system in space group C2/c, with cell parameters a = 13.

Bridging the Salt-Inclusion and Open-Framework Structures: The Case of Acentric AgBOX (X = Br, I) Borate Halides.

An acentric borate family, AgBOX (X = Br, I), has been prepared by slow cooling stoichiometric melts in evacuated silica ampules. Their crystal structure is comprised of two porous interpenetrating frameworks and demonstrates a further development of the "salt-inclusion" architecture toward a "covalent-inclusion" structure. The (AgX) sublattice shows strong anharmonic vibrations.

The first silver bismuth borate, AgBiBO.

The first silver bismuth borate, AgBiBO (silver dibismuth pentaborate), has been prepared via glass crystallization in the AgO-BiO-BO system and characterized by single-crystal X-ray diffraction. Its structure is derived from that of centrosymmetric BiBO by ordered substitution of one Bi ion for Ag, which results in the disappearance of the mirror plane and inversion centre. Second harmonic generation (SHG) measurements confirm the acentric crystal structure.

Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiBO.

γ-NiBO was synthesized in a high-pressure/high-temperature experiment at 5 GPa and 900 °C. The single-crystal structure analysis yielded the following results: space group P622 (No. 179), a = 425.

Structural Evolution from 0D Units to 3D Frameworks in Pb Oxyhalides: Unexpected Strongly Corrugated Layers in Pb7O6Br2.

Novel Pb7O6Br2 (1) lead oxybromide was prepared from Pb oxybromide melt by the "rapid quenching" route. Bonding scheme, thermal expansion, and structural properties were studied. The structural features of this unexpectedly complex phase are described on the basis of lone electron pair stereochemical activity and Pb-Br versus Pb-O bonding scheme.

Incommensurate modulation and thermal expansion of Sr3B(2 + x)Si(1 - x)O(8 - x/2) solid solutions.

Crystal structures of Sr3B(2 + x)Si(1 - x)O(8 - x/2) solid solutions with nominal compositions x = 0.28, 0.53, 0.