Search NASA⌕ Search

SEARCH · Search NASA

Results for “CESIUM COMPOUNDS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Syntheses and structure of hydrothermally prepared CsNiX{sub 3} (X=Cl, Br, I)

During reinvestigation of the hydrothermal synthesis reported earlier of the compound cesium nickel phosphide, 'CsNiP', we arrived at a new route to the synthesis of the cesium nickel halide compounds CsNiX{sub 3} (X=Cl, Br, I). The method has also been shown to extend to cobalt and iron compounds. Single crystals of these compounds were synthesized in phosphoric acid in sealed autoclaves. Their structures were determined by single-crystal X-ray diffraction methods. The compounds crystallize in the hexagonal space group P6{sub 3}/mmc in the BaNiO{sub 3} structure type. The synthetic method and the resultant crystallographic details for CsNiCl{sub 3} are essentially identical with those reported earlier for the synthesis and structure of 'CsNiP'. - Graphical abstract: The CsNiX{sub 3} (X=Cl, Br, I) structure. Cesium is blue, nickel is in dark green polyhedra, halide is brown. Highlights: Black-Right-Pointing-Pointer A hydrothermal approach to single crystal growth of cesium transition-metal halides. Black-Right-Pointing-Pointer Reexamination of 'CsNiP' to determine its composition as CsNiCl{sub 3}. Black-Right-Pointing-Pointer X-ray single-crystal structures of CsNiBr{sub 3} and CsNiI{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ion extraction from a saddle antenna RF surface plasma source

Existing RF Surface Plasma Sources (SPS) for accelerators have specific efficiencies for H{sup +} and H{sup −} ion generation around 3 to 5 mA/cm{sup 2} per kW, where about 50 kW of RF power is typically needed for 50 mA beam current production. The Saddle Antenna (SA) SPS described here was developed to improve H{sup −} ion production efficiency and SPS reliability and availability. At low RF power, the efficiency of positive ion generation in the plasma has been improved to 200 mA/cm{sup 2} per kW of RF power at 13.56 MHz. Initial cesiation of the SPS was performed by heating cesium chromate cartridges by discharge as was done in the very first versions of the SPS. A small oven to decompose cesium compounds and alloys was developed and tested. After cesiation, the current of negative ions to the collector was increased from 1 mA to 10 mA with RF power ∼1.5 kW in the plasma (6 mm diameter emission aperture) and up to 30 mA with ∼4 kW RF power in the plasma and 250 Gauss longitudinal magnetic field. The ratio of electron current to negative ion current was improved from 30 to 2. Stable generation of H{sup −} beam without intensity degradation was demonstrated in the AlN discharge chamber for a long time at high discharge power in an RF SPS with an external antenna. Continuous wave (CW) operation of the SA SPS has been tested on the small test stand. The general design of the CW SA SPS is based on the pulsed version. Some modifications were made to improve the cooling and cesiation stability. The extracted collector current can be increased significantly by optimizing the longitudinal magnetic field in the discharge chamber. CW operation with negative ion extraction was tested with RF power up to 1.8 kW from the generator (∼1.2 kW in the plasma) with production up to Ic=7 mA. Long term operation was tested with 1.2 kW from the RF generator (∼0.8 kW in the plasma) with production of Ic=5 mA, Iex ∼15 mA (Uex=8 kV, Uc=14 kV)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Surface Plasma Source Electrode Activation by Surface Impurities

In experiments with RF saddle antenna surface plasma sources (SPS), the efficiency of H- ion generation was increased by up to a factor of 5 by long time plasma electrode activation, without adding Cs from Cs supply, by heating the collar to high temperature using hot air flow and plasma discharge. Without cracking or heating the cesium ampoule, but likely with Cs recovery from impurities, the achieved energy efficiency was comparable to that of conventionally cesiated SNS RF sources with an external or internal Cs supply. In the experiments, perfect cesiation was produced (without additional Cs supply) by the collection and trapping of traces of remnant cesium compounds from SPS surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Photoluminescence and photostimulated luminescence of oxygen impurities in CsBr

Oxygen impurities have been detected in undoped CsBr by photoluminescence (PL) spectroscopy and their contribution to photostimulated luminescence (PSL) properties of powdered CsBr is discussed. When excited at 200 nm, PL is observed from CsBr which consists of three separate emission peaks. The intrinsic luminescence of CsBr at 379 nm is accompanied by two emission peaks at 395 and 460 nm which arise from oxygen impurities, the latter of which is also PSL active following x-irradiation. Sintering of CsBr with the reducing agent NH{sub 4}Br removes the oxygen impurities so that the 395 and 460 nm emissions are no longer detectable, and subsequently the PSL emission is significantly reduced. PSL storage time measurements of these materials show that oxygen impurities favorably increase both the PSL sensitivity and radiation induced charge-center stability in CsBr:Eu{sup 2+}. The oxygen impurities and their associated luminescence properties can be reintroduced to the CsBr matrix with a controlled concentration by doping with CsOH and then subsequently sintering the resultant CsBr:OH{sup -} with NH{sub 4}Br, which in this system reduces the OH{sup -} centers to O{sup 2-}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Improving efficiency of negative ion production in ion source with saddle antenna

Extraction of negative ions from a saddle antenna radio-frequency surface plasma source is considered. Several versions of new plasma generators with different antennas and magnetic field configurations were tested in the smal Oak Ridge National Laboratory Spallation Neutron Source Test Stand. The efficiency of positive ion generation in plasma has been improved to 200 mA/cm{sup 2} kW from 2.5 mA/cm{sup 2} kW. A small oven was developed for cesiation by cesium compounds and alloy decomposition. After cesiation, a current of negative ions to the collector was increased from 1 mA to 10 mA with 1.5 kW RF power in the plasma and longitudinal magnetic field B{sub l} ∼ 250 G. The specific efficiency of H{sup −} production was increased to 20 mA/cm{sup 2} kW from 2.5 mA/cm{sup 2} kW.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Variable dimensionality and framework found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O

Five new alkali metal zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O have been synthesized by heating a mixture of ZnO, SeO{sub 2} and A{sub 2}CO{sub 3} (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn{sup 2+}. While Rb{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} and Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·H{sub 2}O revealed three-dimensional frameworks consisting of isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra, Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O contained two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers. Specifically, whereas isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra are arranged into two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in two cesium compounds, circular [Zn{sub 3}O{sub 10}]{sup 14-} chains and SeO{sub 3} linkers are formed in two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}. Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations. - Graphical abstract: Variable dimensions and frameworks were found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} (A = Na, Rb and Cs). - Highlights: • Five novel quaternary zinc selenites are synthesized. • All the selenites with different structures contain polarizable d{sup 10} and lone pair cations. • The size of alkali metal cations is significant in determining the framework geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2013

High temperature synthesis of two open-framework uranyl silicates with ten-ring channels: Cs{sub 2}(UO{sub 2}){sub 2}Si{sub 8}O{sub 19} and Rb{sub 2}(UO{sub 2}){sub 2}Si{sub 5}O{sub 13}

The uranyl silicates Cs{sub 2}(UO{sub 2}){sub 2}Si{sub 8}O{sub 19} and Rb{sub 2}(UO{sub 2}){sub 2}Si{sub 5}O{sub 13} were obtained by mixing stoichiometric amounts of uranium metal, tellurium dioxide, silicon dioxide, and an excess of correspondent alkali metal halide flux. These compounds crystallize in the orthorhombic space groups Pnma and C222 with eight and two units per unit cell, respectively. Their crystal structures are dominated by zippered pentagonal bipyramidal chains of UO{sub 7} and silicates layer that are further connected into 3D frameworks. The cesium compound has silicate double layers while rubidium has a single layer. Six-ring voids and ten-ring channels are found in both compounds. - Graphical abstract: A view of the three-dimensional network structure of Cs{sub 2}(UO{sub 2}){sub 2}Si{sub 8}O{sub 19}. Highlights: Black-Right-Pointing-Pointer Three-dimensional uranium silicates. Black-Right-Pointing-Pointer Analogs of natural uranyl silicate minerals. Black-Right-Pointing-Pointer Complexity and symmetry ambiguity of uranyl silicates.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Surface Plasma Source Electrode Activation by Surface Impurities

In experiments with RF saddle antenna surface plasma sources (SPS), the efficiency of H{sup -} ion generation was increased by up to a factor of 5 by plasma electrode 'activation', without supplying additional Cs, by heating the collar to high temperature for several hours using hot air flow and plasma discharge. Without cracking or heating the cesium ampoule, but likely with Cs recovery from impurities, the achieved energy efficiency was comparable to that of conventionally cesiated SNS RF sources with an external or internal Cs supply. In the experiments, optimum cesiation was produced (without additional Cs) by the collection and trapping of traces of remnant cesium compounds from SPS surfaces. Such activation by accumulation of impurities on electrode surfaces can be a reason for H{sup -} emission enhancement in other so-called 'volume' negative ion sources.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Syntheses and single-crystal structures of CsTh(MoO{sub 4}){sub 2}Cl and Na{sub 4}Th(WO{sub 4}){sub 4}

Colorless crystals of CsTh(MoO{sub 4}){sub 2}Cl and Na{sub 4}Th(WO{sub 4}){sub 4} have been synthesized at 993 K by the solid-state reactions of ThO{sub 2}, MoO{sub 3}, CsCl, and ThCl{sub 4} with Na{sub 2}WO{sub 4}. Both compounds have been characterized by the single-crystal X-ray diffraction. The structure of CsTh(MoO{sub 4}){sub 2}Cl is orthorhombic, consisting of two adjacent [Th(MoO{sub 4}){sub 2}] layers separated by an ionic CsCl sublattice. It can be considered as an insertion compound of Th(MoO{sub 4}){sub 2} and reformulated as Th(MoO{sub 4}){sub 2}.CsCl. The Th atom coordinates to seven monodentate MoO{sub 4} tetrahedra and one Cl atom in a highly distorted square antiprism. Na{sub 4}Th(WO{sub 4}){sub 4} adopts a scheelite superlattice structure. The three-dimensional framework of Na{sub 4}Th(WO{sub 4}){sub 4} is constructed from corner-sharing ThO{sub 8} square antiprisms and WO{sub 4} tetrahedra. The space within the channels is filled by six-coordinate Na ions. Crystal data: CsTh(MoO{sub 4}){sub 2}Cl, monoclinic, P2{sub 1}/c, Z=4, a=10.170(1) A, b=10.030(1) A, c=9.649(1) A, {beta}=95.671(2){sup o}, V=979.5(2) A{sup 3}, R(F)=2.65% for I>2{sigma}(I); Na{sub 4}Th(WO{sub 4}){sub 4}, tetragonal, I4{sub 1}/a, Z=4, a=11.437(1) A, c=11.833(2) A, V=1547.7(4) A{sup 3}, R(F)=3.02% for I>2{sigma}(I). -- Graphical abstract: The two-dimensional layered structure of CsTh(MoO{sub 4}){sub 2}Cl viewed down the b axis. Display Omitted Research highlights: {yields} Syntheses of CsTh(MoO{sub 4}){sub 2}Cl and Na{sub 4}Th(WO{sub 4}){sub 4} from chlorides. {yields} Single-crystal structures of CsTh(MoO{sub 4}){sub 2}Cl and Na{sub 4}Th(WO{sub 4}){sub 4}. {yields} CsTh(MoO{sub 4}){sub 2}Cl can be considered as an inclusion compound composed of covalent [Th(MoO{sub 4}){sub 2}] layer and ionic [CsCl] layers. {yields} Na{sub 4}Th(WO{sub 4}){sub 4} adopts a defect scheelite structure.

36 MATERIALS SCIENCE↗
DOE OSTI2011

From {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}]{sup 6-} to {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]{sup 6-} infinite chains in A{sub 6}U{sub 2}Mo{sub 4}O{sub 21} (A=Na, K, Rb, Cs) compounds: Synthesis and crystal structure of Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]

A new caesium uranyl molybdate belonging to the M{sub 6}U{sub 2}Mo{sub 4}O{sub 21} family has been synthesized by solid-state reaction and its structure determined from single-crystal X-ray diffraction data. Contrary to the other alkali uranyl molybdates of this family (A=Na, K, Rb) where molybdenum atoms adopt only tetrahedral coordination and which can be formulated A{sub 6}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}], the caesium compound Cs{sub 6}U{sub 2}Mo{sub 4}O{sub 21} should be written Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})] with molybdenum atoms in tetrahedral and square pyramidal environments. Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})] crystallizes in the triclinic symmetry with space group P1-bar and a=10.4275(14) A, b=15.075(2) A, c=17.806(2) A, {alpha}=70.72(1){sup o}, {beta}=80.38(1){sup o} and {gamma}=86.39(1){sup o}, V=2604.7(6) A{sup 3}, Z=4, {rho}{sub mes}=5.02(2) g/cm{sup 3} and {rho}{sub cal}=5.08(3) g/cm{sup 3}. A full-matrix least-squares refinement on the basis of F{sup 2} yielded R{sub 1}=0.0464 and wR{sub 2}=0.0950 for 596 parameters with 6964 independent reflections with I{>=}2{sigma}(I) collected on a BRUKER AXS diffractometer with Mo(K{alpha}) radiation and a CCD detector. The crystal structure of Cs compound is characterized by {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]{sup 6-} parallels chains built from U{sub 2}O{sub 13} dimeric units, MoO{sub 4} tetrahedra and MoO{sub 5} square pyramids, whereas, Na, K and Rb compounds are characterized by {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}]{sup 6-} parallel chains formulated simply of U{sub 2}O{sub 13} units and MoO{sub 4} tetrahedra. Infrared spectroscopy measurements using powdered samples synthesized by solid-state reaction, confirm the structural results. The thermal stability and the electrical conductivity are also studied. The four compounds decompose at low temperature (between 540 and 610 {sup o}C). -- Graphical abstract: The staking of {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]{sup 6-} infinite uranyl molybdate ribbons in the Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})] structure. Display Omitted Highlights: {yields} Cs{sub 6}U{sub 2}Mo{sub 4}O{sub 2} a new compound with bidimensional crystal structure, characterized by infinite uranyl molybdate chains. {yields} Crystal structure similar to these of the compounds containing Na, K, Rb. {yields} Molybdenum atoms surrounded by five oxygen atoms to form an original and strongly distorted MoO{sub 5} environment. {yields} The chains arrangement illustrates the key role of the alkaline ionic radius, in the crystal structure distortion for Cs compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3}

New ternary molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is synthesized in the system Na{sub 2}MoO{sub 4}–Cs{sub 2}MoO{sub 4}–Bi{sub 2}(MoO{sub 4}){sub 3}. The structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å{sup 3}, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs{sub 2}NaBi(MoO{sub 4}){sub 3} up to the melting point at 826 K. The compound shows an SHG signal, I{sub 2w}/I{sub 2w}(SiO{sub 2})=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured. - Graphical abstract: - Highlights: • The crystal structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is defined. • The molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is stable up to melting point at 826 K. • Vibrational properties of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} are evaluated by Raman spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Preparation and characterization of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts for biodiesel production

Graphical abstract: In this study, a series of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared and tested for biodiesel production. The best operational conditions were CH3OH/oil = 12/1 at 60 °C with mechanical stirring, the biodiesel yield reaches to 81% in 4 h. Also notably, recovery of the catalyst can be achieved easily with the help of an external magnet with no need for expensive ultracentrifugation. - Highlights: • Effects of preparation conditions for biodiesel production were studied. • The CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} catalyst is efficient catalyst for biodiesel production. • The reaction conditions were found methanol/oil = 12/1, T = 60 °C. - Abstract: The magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared via combination of sol–gel and impregnation methods. The effects of different H{sub 3}PW{sub 12}O{sub 40}/(Fe–SiO{sub 2}) weight percentage, loading of Cs as a promotor and calcination conditions on the catalytic performance has been studied. It was found that the catalyst with H{sub 3}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} = 4 wt.% and Cs = 2 wt.% is an optimal catalyst for biodiesel production. The activity of optimal catalyst was studied in different operational conditions. The best operational conditions were CH{sub 3}OH/oil = 12/1 at 60 °C with mechanical stirring rate of 500 rpm and the biodiesel yield reaches to 81% in 4 h. Characterization of catalysts was carried out by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform-infrared spectroscopy (FT-IR), vibrating sample magnetometry (VSM), N{sub 2} adsorption–desorption measurements methods, Thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC)

36 MATERIALS SCIENCE↗
DOE OSTI2011

Electron nuclear double resonance study of photostimulated luminescence active centers in CsBr:Eu{sup 2+} medical imaging plates

CsBr:Eu{sup 2+} needle image plates exhibit an electron-paramagnetic-resonance (EPR) spectrum at room temperature (RT), whose intensity is correlated with the photostimulated luminescence sensitivity of the plate. This EPR spectrum shows a strong temperature dependence: At RT it is owing to a single Eu{sup 2+} (S =7/2) center with axial symmetry, whereas at T<35 K the spectra can only be explained when two distinct centers are assumed to be present, a minority axial center and a majority center with nearly extremely rhombic symmetry. In this paper these low-temperature centers are studied with electron nuclear double resonance (ENDOR) spectroscopy, which reveals the presence of {sup 1}H nuclei close to the central Eu{sup 2+} ions in the centers. Analysis of the angular dependence of the ENDOR spectra allows to propose models for these centers, providing an explanation for the observed difference in intensity between the spectral components and for their temperature dependence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

H- Ion Sources for High Intensity Proton Drivers

Existing RF Surface Plasma Sources (SPS) for accelerators have specific efficiencies for H + and H - ion generation around 3 to 5 mA/cm 2 per kW, where about 50 kW of RF power is typically needed for 50 mA beam current production. The Saddle Antenna (SA) SPS described here was developed to improve H- ion production efficiency, reliability and availability for pulsed operation as used in the ORNL Spallation Neutron Source . At low RF power, the efficiency of positive ion generation in the plasma has been improved to 200 mA/cm 2 per kW of RF power at 13.56 MHz. Initial cesiation of the SPS was performed by heating cesium chromate cartridges by discharge as was done in the very first versions of the SPS. A small oven to decompose cesium compounds and alloys was developed and tested. After cesiation, the current of negative ions to the collector was increased from 1 mA to 10 mA with RF power 1.5 kW in the plasma (6 mm diameter emission aperture) and up to 30 mA with 4 kW RF power in the plasma and 250 Gauss longitudinal magnetic field. The ratio of electron current to negative ion current was improved from 30 to 2. Stable generation of H- beam without intensity degradation was demonstrated in the aluminum nitride (AlN) discharge chamber for 32 days at high discharge power in an RF SPS with an external antenna. Some modifications were made to improve the cooling and cesiation stability. The extracted collector current can be increased significantly by optimizing the longitudinal magnetic field in the discharge chamber. While this project demonstrated the advantages of the pulsed version of the SA RF SPS as an upgrade to the ORNL Spallation Neutron Source, it led to a possibility for upgrades to CW machines like the many cyclotrons used for commercial applications. Four appendices contain important details of the work carried out under this grant.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Synthesis, structure, and optical properties of CsU{sub 2}(PO{sub 4}){sub 3}

CsU{sub 2}(PO{sub 4}){sub 3} was synthesized in highest yield by the reaction in a fused-silica tube of U, P, and Se in a CsCl flux at 1273 K. It crystallizes with four formula units in space group P2{sub 1}/n of the monoclinic system in a new structure type. The structure of CsU{sub 2}(PO{sub 4}){sub 3} is composed of U and Cs atoms coordinated by PO{sub 4}{sup 3-} units in distorted octahedral arrangements. Each U atom corner shares with six PO{sub 4}{sup 3-} units. Each Cs atom face shares with one, edge shares with two, and corner shares with three PO{sub 4}{sup 3-} units. The structure shares some features with the sodium zirconium phosphate structure type. X-ray powder diffraction results demonstrate that the present CsU{sub 2}(PO{sub 4}){sub 3} compound crystallizes in a structure different from the previously reported {beta} Prime - and {gamma}-CsU{sub 2}(PO{sub 4}){sub 3} compounds. CsU{sub 2}(PO{sub 4}){sub 3} is highly pleochroic, as demonstrated by single-crystal optical absorption measurements. - Graphical abstract: Stacking of the layers in CsU{sub 2}(PO{sub 4}){sub 3}, viewed along [100]. Highlights: Black-Right-Pointing-Pointer Compound CsU{sub 2}(PO{sub 4}){sub 3} crystallizes in a new structure type. Black-Right-Pointing-Pointer Structure shares some features with the sodium zirconium phosphate structure type. Black-Right-Pointing-Pointer CsU{sub 2}(PO{sub 4}){sub 3} is highly pleochroic, as demonstrated by single-crystal optical absorption measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Phase Transition and Elastic Properties of La-Compounds

The Phase transition and elastic properties of La-monochalcogenides have been investigated under pressure by means of a modified charge-transfer potential model which incorporates the Coulomb interaction modified by Coulomb screening due to the delocalization of electron of rare-earth atom leading to many-body interactions, covalency effect and overlap repulsion extended up to second-nearest neighbours. Under high pressure the coordination increases and they transform from rock-salt to CsCl structure. The calculated values of cohesive energy, lattice constant, phase transition pressure, relative volume collapse and harmonic elastic moduli their agree well with the available measured data and better than those computed by earlier workers. Present model is capable of explaining the Cauchy's discrepancy correctly.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Crystal chemistry peculiarities of Cs{sub 2}Te{sub 4}O{sub 12}

The Raman and IR-absorption spectra of the Cs{sub 2}Te{sub 4}O{sub 12} lattice are first recorded and interpreted. Extraordinary features observed in the structure and Raman spectra of Cs{sub 2}Te{sub 4}O{sub 12} are analyzed by using ab initio and lattice-dynamical model calculations. This compound is specified as a caesium-tellurium tellurate Cs{sub 2}Te{sup IV}(Te{sup VI}O{sub 4}){sub 3} in which Te{sup IV} atoms transfer their 5p electrons to [Te{sup VI}O{sub 4}]{sub 3}{sup 6-} tellurate anions, thus fulfilling (jointly with Cs atoms) the role of cations. The Te{sup VI}-O-Te{sup VI} bridge vibration Raman intensity is found abnormally weak, which is reproduced by model treatment including the Cs{sup +} ion polarizability properties in consideration. -- Graphical abstract: Two versions of the BPM estimations of the Raman intensity for the Cs{sub 2}Te{sub 4}O{sub 12} lattice vibrations: (a) without including effects of the Cs-O bonds and (b) including the above mentioned effects. Experimentally observed peaks are characterized by their frequency positions. Display Omitted Research highlights: > Extraordinary features observed in the structure and Raman spectra of Cs{sub 2}Te{sub 4}O{sub 12}. > Ab initio and lattice-dynamical model calculations. > Abnormally weak Raman intensities of the symmetric Te{sup VI}-O-Te{sup VI} bridge. > The monovalent Cs{sup +} cations profoundly influence the polarizability properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

VUV fluorescence following electron-impact dissociative excitation of CS{sub 2}

Electron-impact dissociation of CS{sub 2} has been studied by observation of the atomic spectral emission features in the range 115-170 nm. Absolute photoemission cross sections are presented over the complete wavelength range for an incident electron energy of 100 eV. As an example, the measured cross section of the strong C i emission at 165.7 nm, which is a prominent feature in many solar and other extraterrestrial spectra, is (1.45{+-}0.19)x10{sup -18} cm{sup 2}. Comparison with earlier cross-sectional measurements suggest that these were too high by a factor of more than three. Excitation functions of the dominant C i (156.1 nm) and S i (147.4 nm) emission lines have been measured for electron-impact energies from threshold to 360 eV. From appearance energy measurements in the near-threshold region, likely fragmentation channels are identified which involve both two-fragment breakup and total fragmentation of the parent CS{sub 2}.

74 ATOMIC AND MOLECULAR PHYSICS↗