Synthesis and crystal structure analysis of binary molybdate CsNamoO4 · 2H2O

Single crystals of CsNaMoO₄ · 2H₂O were synthesized, and the crystal structure of this compound was determined from X- ray diffraction data (SYNTEX P2₁ automatic diffractometer, MoK_α radiation, 2252 reflections, R =0.037). Crystals are orthorhombic, space group P2₁2₁2₁ with unit cell dimensions a =6.379(1), b =8.625(1), c =13.671(2) å, Z =4. The structure of the binary molybdate consists of continuous columns of face- sharing Na octahedra with attached MoO₄ tetrahedra. The neighboring columns are linked by the Cs cations and the hydrogen bonds of the water molecules entering into the coordination polyhedra of the Na and Cs atoms.     

Kinetics of kaolinite dehydration and its dependence on mechanochemical activation

For the mechanochemical activation of two processes can be considered: the structural disordering of laminar crystals, and the formation of molecular dense aggregates from small particles. The activation energy of the dehydration is shown to decrease if the first process predominates, and vice versa. Therefore, to study and compare the kinetics of dehydration of different kaolinites the whole complex of properties the initial samples should be taken into account: the structure defectness, the particle size, particle-packing into aggregates, and the size and density of the aggregates.

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Zusammenfassung Bei der mechanochemischen Aktivierung von Kaolinit sind zwei Prozesse zu betrachten: Die strukturelle Unordnung laminarer Kristalle und die Bildung molekular dichter Aggregate aus kleineren Teilchen. Es wird gezeigt, dass die Aktivierungsenergie der Entwässerung abnimmt, wenn der erste Prozess vorherrscht, und zunimmt, wenn der zweite Prozess überwiegt. Deshalb muss bei vergleichenden Untersuchungen zur Entwässerung verschiedener Kaolinite der Gesamtkomplex der Eigenschaften der Ausgangsproben berücksichtigt werden, also die strukturelle Perfektion, Teilchengrösse, Vereinigung von Teilchen zu Aggregaten sowie Grösse und Dichte der Aggregate.

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Facility for preparation of gas mixture in muon catalyzed fusion experiments

A facility is described that allows safe handling of high tritium gas activity as dozens kilocuries in a regular laboratory environment. It is used to make and deliver into the target a mixture of specific isotopic composition with the contamination requirement of 10^-7 v.f. for Z>1 elements, and recover it upon completion of operation. With this facility, efforts have been accomplished to investigate into the muon catalyzed fusion on two targets – liquid tritium and high-pressure tritium types. Also, the operation range was 0.1–120 MPa for pressure and 20–800 K for temperature and the amount of tritium used was about 100 kCi. The facility showed reliability in operation without indications of radiation beyond the safety level. This revised version was published online in August 2006 with corrections to the Cover Date.     

Synthesis,characterization, and x-ray structural study of binary lithium managanese(II) molybdate

The binary molybdate of variable composition Li_2?2nMn_2+x(MoO₄)₃ (O2Fe₂(MoO₄)₃, was discovered in the Li₂MoO₄-MnMoO₄ system. We have grown single crystals of Li_1.60Mn_2.20(MoO₄)₃) and determined its crystal structure (space group Pnma, a=5.145, b=10.681, c=17.985 Å, Z=4). Along with statistical arrangement of Li and Mn in three different atomic positions, cation vacancies in one of these were found. Based on the data obtained, we propose to revise the compositions of some lithium-containing phases with the Li₂Fe₂(MoO₄)₃-type structure.     

Synthesis and X‐Ray Study of Single Crystals of K5(Cd0.5Zr1.5)(MoO4)6 Triple Molybdate

Single crystals of K₅(Cd_0.5Zr_1.5)₂(MoO₄)₆ molybdate have been grown. Its composition and crystal structure have been established from Xray diffraction data CAD4 automatic diffractometer, MoK radiation, 940 F(hkl), R = 0.0234. The crystals have a trigonal unit cell a = b = 10.624(1), c = 37.694(6), V = 3684.5(8)³, and space group R3c. The 3D mixed framework of the molybdate structure is formed by two kinds of Mo tetrahedra and (Cd, Zr) octahedra joined by shared O vertices. The large cavities in the framework are occupied by K atoms of three kinds. The distribution of Cd²⁺ and Zr⁴⁺ cations over two crystallographic positions has been refined.     

Binary molybdates K4M2+(MoO4)3 (M2+=Mg, Mn, Co) and crystal structure of K4Mn(MoO4)3

Binary molybdates K₄M²⁺ (MoO₄)₃ (M²⁺=Mg, Mn, Co) isostructural to triclinic \ga-K₄Zn(WO₄)₃ were synthesized, and optimal conditions for their spontaneous crystallization were found. It was established by XRPA and DTA that at 530°C the structure of the compound with cobalt undergoes a transition to the orthorhombic structure of K₄Zn(MoO₄)₃. The structure of K₄Mn(MoO₄)₃ was determined from single crystal diffraction data (a=7.613, b=9.955, c=10.156 Å,α=92.28,β=106.66,γ=105.58°, Z=2, space group $P\bar 1$ , R=0.030). In this compound, Mn has a higher coordination number (CN=5+1) than that of Zn inα-K₄Zn(WO₄)₃ (CN=4+1). The main structural feature is pairs of MnO₆ octahedra linked by the bridging MoO₄ tetrahedra into ribbons stretching along the a axis. The structure is compared with related structures of binary molybdates and other members of the alluaudite family.     

Synthesis of ternary potassium,magnesium, and zirconium molybdates. The crystal structure of K5(Mg0.5Zr1.5)·(MoO4)6

Three (5∶1∶3, 1∶1∶1, and 2∶1∶6) ternary phases were discovered in the K₂MoO₄?AMoO₄?Zr(MoO₄)₂ system, where A is Mg or Mn. For A=Mg, we have synthesized 5∶1∶3 single crystals and determined their crystal structure from X-ray diffraction data (a CAD-4 automatic diffractometer, MoK_α radiation, 1166 F(hkl), and R=0.026). The compound crystallizes in the trigonal system with space group R3c, a=10.576(1), c=37.511(3), Å, Z=6, d_calc=3.576, and d_msd=3.54 g/cm³. The structure is a three-dimensional composite framework of alternating Mo tetrahedra and (Mg, Zr) octahedra, which are linked via the common O vertices. Potassium atoms of three kinds are located in large framework cavities. Their polyhedra (ten-vertex polyhedra and a cubeoctahedron) are linked together by common faces and edges to form infinite zigzag columns of a large section. When solving the structure, we refined the composition of the crystals and the distribution of Mg²⁺ and Zr⁴⁺ cations in the M(1) and M(2) positions resulting in the formula above.     

Bergman Kernel from Path Integral

We rederive the expansion of the Bergman kernel on Kähler manifolds developed by Tian, Yau, Zelditch, Lu and Catlin, using path integral and perturbation theory, and generalize it to supersymmetric quantum mechanics. One physics interpretation of this result is as an expansion of the projector of wave functions on the lowest Landau level, in the special case that the magnetic field is proportional to the Kähler form. This is relevant for the quantum Hall effect in curved space, and for its higher dimensional generalizations. Other applications include the theory of coherent states, the study of balanced metrics, noncommutative field theory, and a conjecture on metrics in black hole backgrounds discussed in [24]. We give a short overview of these various topics. From a conceptual point of view, this expansion is noteworthy as it is a geometric expansion, somewhat similar to the DeWitt-Seeley-Gilkey et al short time expansion for the heat kernel, but in this case describing the long time limit, without depending on supersymmetry.     

Shape resonances in slow electron scattering by aromatic molecules. I. Anthraquinone derivatives

A series of anthraquinone (C(14)O(2)H(8)) derivatives has been studied by means of electron capture negative ion mass spectrometry (ECNI-MS), photoelectron spectroscopy (PES), and AM1 quantum chemical calculations. Mean lifetimes of molecular negative ions M(-.) (MNI) have been measured. The mechanism of long-lived MNI formation in the epithermal energy region of incident electrons has been investigated. A simple model of a molecule (a spherical potential well with the repulsive centrifugal term) has been applied for the analysis of the energy dependence of cross sections at the first stage of the electron capture process. It has been shown that a temporary resonance of MNI at the energy approximately 0.5 eV corresponds to a shape resonance with lifetime 1-2.10(-13) s in the f-partial wave (l = 3) of the incident electron. The next resonant state of MNI at the energy approximately 1.7 eV has been associated with the electron excited Feshbach resonance (whose parent state is a triplet npi* transition). In all cases the initial electron state of the MNI relaxes into the ground state by means of a radiationless transition, and the final state of the MNI is a nuclear excited resonance with a lifetime measurable on the mass spectrometry timescale. Copyright 1999 John Wiley & Sons, Ltd.