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At least 703 records · Page 39

Microwave-Assisted Synthesis of Cu@IrO 2 Core-Shell Nanowires for Low-Temperature Methane Conversion

A facile microwave-assisted synthesis was developed for the tunable fabrication of a novel Cu@IrO 2 core@shell nanowire motif. Experimental parameters, such as (i) reaction time, (ii) the method of addition of the Ir precursor, (iii) capping agent, (iv) reducing agent, as well as (v) the capping agent-to-reducing agent ratio, were subsequently optimized. The viability of other methods based on previously reported literature, such as refluxing, stirring, and physical sonication, was studied and compared with our optimized microwave-assisted protocol in creating our as-prepared materials. It should be noted that the magnitude of the IrO 2 shell could be tailored based on varying the Cu: Ir ratio coupled with judicious variations in the amounts of capping agent and reducing agent. Structural characterization techniques, such as XRD, XPS, and HRTEM (including HRTEM-EDS), were used to analyze our Cu@IrO 2 motifs. Specifically, the shell could be reliably tailored from sizes of 10 nm, 8 nm, 6 nm, and 3.5 nm with corresponding Cu: Ir ratios of 10:1, 15:1, 20:1, and 25:1, respectively. Moreover, the structural integrity of the motifs was probed and found to have been maintained after not only heat treatment but also the post-methane conversion process, indicative of an intrinsically high stability. Both components within the CuO-IrO 2 interface were able to activate methane at temperatures between 400 to 500 K with a reduction of the associated metal cations (Cu 2+ → Cu 1+ ; Ir 4+ → Ir 3+ ) and the deposition of CH x fragments on the surface, as clearly observed in the ambient-pressure XPS results. Thus, on the basis of their stability and chemical activity, these core-shell materials could be very useful for the catalytic conversion of methane into 'higher value" chemicals.

36 MATERIALS SCIENCE↗

Influence of 1-Butene Adsorption on the Dimerization Activity of Single Metal Cations on UiO-66 Nodes

Grafting metal cations to missing linker defect sites in zirconium-based metal–organic frameworks, such as UiO-66, produces a uniquely well-defined and homotopic catalytically active site. We present here the synthesis and characterization of a group of UiO-66-supported metal catalysts, M-UiO-66 (M = Ni, Co, Cu, and Cr), for the catalytic dimerization of alkenes. The hydrogen–deuterium exchange via deuterium oxide adsorption followed by infrared spectroscopy showed that the last molecular water ligand desorbs from the sites after evacuation at 300 °C leading to M(OH)-UiO-66 structures. Adsorption of 1-butene is studied using calorimetry and density functional theory techniques to characterize the interactions of the alkene with metal cation sites that are found active for alkene oligomerization. For the most active Ni-UiO-66, the removal of molecular water from the active site significantly increases the 1-butene adsorption enthalpy and almost doubles the catalytic activity for 1-butene dimerization in comparison to the presence of water ligands. Other M-UiO-66 (M = Co, Cu, and Cr) exhibit 1–3 orders of magnitude lower catalytic activities compared to Ni-UiO-66. The catalytic activities correlate linearly with the Gibbs free energy of 1-butene adsorption. Furthermore, density functional theory calculations probing the Cossee–Arlman mechanism for all metals support the differences in activity, providing a molecular level understanding of the metal site as the active center for 1-butene dimerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride

Incorporating chiral organic cations into organic–inorganic hybrid materials has been shown to enable the inorganic sublattice to display chiroptical properties. We report a new two-dimensional magnetic (S = 1/2) chiral metal halide perovskite, (R)- and (S)-(C 4 H 9 FN) 2 CuCl 4 (where (C 4 H 9 FN) + is 3-fluoropyrrolidinium), which consists of Cu–Cl inorganic layers separated by (C 4 H 9 FN) + organic cations. The presence of the chiral (C 4 H 9 FN) + organic cation induces the formation of chiral magnetic order, even though the inorganic sublattice itself is nearly structurally centrosymmetric. We also report the racemic variant, containing an equal amount of (R)- and (S)- cations, which shows no evidence of chiral magnetic order. When the magnetic susceptibility is measured perpendicular to the inorganic Cu–Cl layer propagation direction, an antiferromagnetic phase transition at Néel temperature T N = 2.23 K is observed in both the chiral and racemic materials, and the existence of the magnetic phase transition is supported by specific heat capacity measurements. Field-induced magnetic chirality is observed through the existence of a second-order magnetoelectric effect in the chiral variant, while no magnetoelectric signal is observed for the racemic material, indicating the absence of magnetic chirality. Our findings demonstrate that materials exhibiting chiral magnetic order can be created through the incorporation of a chiral cation into an organic–inorganic hybrid magnetic material, potentially allowing for the design of tailored materials that combine chiral magnetism with other desirable optical and electronic properties that come from structural chirality.

Cations↗

Focussing Protons from a Kilojoule Laser for Intense Beam Heating using Proximal Target Structures

Proton beams driven by chirped pulse amplified lasers have multi-picosecond duration and can isochorically and volumetrically heat material samples, potentially providing an approach for creating samples of warm dense matter with conditions not present on Earth. Envisioned on a larger scale, they could heat fusion fuel to achieve ignition. We have shown in an experiment that a kilojoule-class, multi-picosecond short pulse laser is particularly effective for heating materials. The proton beam can be focussed via target design to achieve exceptionally high flux, important for the applications mentioned. The laser irradiated spherically curved diamond-like-carbon targets with intensity 4 × 10 18 W/cm 2 , producing proton beams with 3 MeV slope temperature. A Cu witness foil was positioned behind the curved target, and the gap between was either empty or spanned with a structure. With a structured target, the total emission of Cu Kα fluorescence was increased 18 fold and the emission profile was consistent with a tightly focussed beam. Transverse proton radiography probed the target with ps order temporal and 10 μm spatial resolution, revealing the fast-acting focussing electric field. Complementary particle-in-cell simulations show how the structures funnel protons to the tight focus. Here, the beam of protons and neutralizing electrons induce the bright Kα emission observed and heat the Cu to 100 eV.

47 OTHER INSTRUMENTATION↗

Novel inverse oxide/metal catalysts for methanol synthesis: impact of oxide–metal interactions and reversible morphological changes

Inverse oxide/metal catalysts have proved to be excellent systems for the generation of methanol by CO 2 hydrogenation or the partial oxidation of methane. These systems can exhibit unique structural and chemical properties due to the nano size of the oxide component and strong oxide–metal interactions. Recent studies for ZnO/Cu, CeO 2 /Cu, TiO 2/ Cu, MgO/Cu, In 2 O 3 /Cu, and In 2 O 3 /Au catalysts have shown large variations in the composition and morphology of the oxide overlayer as a function of temperature and chemical environment. These oxide–metal interfaces are able to react with CO 2 and CH 4 at room temperature, and both reactants have a strong influence on the physical and chemical properties of the catalysts. Under reaction conditions, switches between oxide–metal and metal–metal interfaces can take in the catalyst surface. A dynamic behavior that can be linked to a high selectivity for methanol production over systems such as ZnO/Cu, CeO 2 /Cu and In 2 O 3 /Au. Finally, this type of correlation deserves additional systematic studies since it could be a powerful tool for designing highly efficient catalysts for methanol synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on Cu3(IN)4 by Materials Project

Cu3(NI)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Cu3(NI)4 sheet oriented in the (0, -1, 1) direction. there are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded to four I1- atoms to form a mixture of corner and edge-sharing CuI4 trigonal pyramids. There are a spread of Cu–I bond distances ranging from 2.61–3.04 Å. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a square co-planar geometry to four N1- atoms. There is two shorter (1.85 Å) and two longer (2.01 Å) Cu–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted water-like geometry to one Cu+2.67+ and one N1- atom. The N–N bond length is 1.14 Å. In the second N1- site, N1- is bonded in a 2-coordinate geometry to one Cu+2.67+ and one I1- atom. The N–I bond length is 1.96 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Cu+2.67+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to one Cu+2.67+ and one N1- atom.

36 MATERIALS SCIENCE↗

Neutral and ion exosphere models for lunar hydrogen and helium

A general neutral exosphere model, which includes density and temperature variations at the exobase, is applied to the moon to obtain surface and radial density distributions for H, H2, and He. It is assumed that the source for these constituents derives from accretion of solar wind ions. The surface distributions are determined by requiring that the sum of the neutral and solar wind ion fluxes for a given constituent vanish at all points on the surface. On this basis, maximum dayside surface densities for H, H2, and He and maximum nightside surface densities for H, H2, and He are obtained that are consistent with either measured values or upper limits. In addition, model ion density distributions for H2(+) and He(+) are constructed. This ion exosphere is produced by ionization of the neutral exosphere in the solar wind, which efficiently sweeps the ions past or onto the lunar surface. Saturated H2(+) and He(+) densities ranging from about .001 to .015 per cu cm and .00003 to .0004 per cu cm over 1.5 to 3 selenocentric radii on the dayside, respectively.

Hartle, R. E.↗

Reduced reactivity to air on HF-treated YBa2Cu3O(7-x)surfaces

Treatment of YBa2Cu3O(7-x) films with a nonaqueous solution of HF in absolute ethanol results in the formation of an oxyfluoride with relative Y:Ba:Cu concentrations of 1:4:3 on the surface, as determined by X-ray photoelectron spectroscopy. The passivation properties of chemically treated films were tested by monitoring the growth of the high binding energy O 1s peak, associated with nonsuperconducting surface species, as a function of air exposure time, for both HF-treated and untreated films. The native oxyfluoride is shown to reduce the reactivity of the superconductor to air.

Vasquez, R. P.↗

Development and testing of hermetic, laser-ignited pyrotechnic and explosive components

During the last decade there has been increasing interest in the use of lasers in place of electrical systems to ignite various pyrotechnic and explosive materials. The principal driving force for this work was the requirement for safer energetic components which would be insensitive to electrostatic and electromagnetic radiation. In the last few years this research has accelerated since the basic concepts have proven viable. At the present time it is appropriate to shift the research emphasis in laser initiation from the scientific arena--whether it can be done--to the engineering realm--how it can be put into actual practice in the field. Laser initiation research and development at EG&G Mound was in three principal areas: (1) laser/energetic material interactions; (2) development of novel processing techniques for fabricating hermetic (helium leak rate of less than 1 x 10(exp -8) cu cm/s) laser components; and (3) evaluation and testing of laser-ignited components. Research in these three areas has resulted in the development of high quality, hermetic, laser initiated components. Examples are presented which demonstrate the practicality of fabricating hermetic, laser initiated explosive or pyrotechnic components that can be used in the next generation of ignitors, actuators, and detonators.

Kramer, Daniel P.↗

Comparison of three methods for materials identification and mapping with imaging spectroscopy

We are comparing three methods of mapping analysis tools for imaging spectroscopy data. The purpose of this comparison is to understand the advantages and disadvantages of each algorithm so others would be better able to choose the best algorithm or combinations of algorithms for a particular problem. The three algorithms are: (1) the spectralfeature modified least squares mapping algorithm of Clark et al (1990, 1991): programs mbandmap and tricorder; (2) the Spectral Angle Mapper Algorithm(Boardman, 1993) found in the CU CSES SIPS package; and (3) the Expert System of Kruse et al. (1993). The comparison uses a ground-calibrated 1990 AVIRIS scene of 400 by 410 pixels over Cuprite, Nevada. Along with the test data set is a spectral library of 38 minerals. Each algorithm is tested with the same AVIRIS data set and spectral library. Field work has confirmed the presence of many of these minerals in the AVIRIS scene (Swayze et al. 1992).

Clark, Roger N.↗

Structure and chemistry in the northwestern condensation of the Serpens molecular cloud core

We present single-dish and interferometric observations of gas and dust in the core of the Serpens molecular cloud, focusing on the northwestern condensation. Single-dish molecular line observations are used to probe the structure and chemistry of the condensation while high-resolution images of CS and CH30H are combined with continuum observations from lambda = 1.3 mm to lambda = 3.5 cm to study the subcondensations and overall distribution of dust. For the northwestern condensation, we derive a characteristic density of 3 x 10(exp 5)/ cu cm and an estimated total mass of approximately 70 solar mass. We find compact molecular emission associated with the far-infrared source S68 FIRS 1, and with a newly detected subcondensation named S68 N. Comparison of the large-and small-scale emission reveals that most of the material in the northwest condensation is not directly associated with these compact sources, suggesting a youthful age for this region. CO J = 1 approaches 0 observations indicate widespread outflow activity. However, no unique association of embedded objects with outflows is possible with our observations. The SiO emission is found to be extended with the overall emission centered about S68 FIRS 1; the offset of the peak emission from all of the known continuum sources and the coincidence between the blueshifted SiO emission and blueshifted high-velocity gas traced by CO and CS is consistent with formation of SiO in shocks. Derived abundances of CO and HCO(+) are consistent with quiescent and other star-forming regions while CS, HCN, and H2CO abundances indicate mild depletions within the condensation. Spectral energy distribution fits to S68 FIRS 1 indicate a modest luminosity (50-60 solar luminosity), implying that it is a low-mass (0.5-3 solar mass) young stellar object. Radio continuum observations of the triple source toward S68 FIRS 1 indicate that the lobe emission is varying on timescales less than or equal to 1 yr while the central component is relatively constant over approximately 14 yr. The nature of a newly detected compact emission region, S68 N, is less certain due to the absence of firm continuum detections; based on its low luminosity (less than 5 solar luminosity) and strong molecular emission, S68 N may be prestellar subcondensation of gas and dust.

Mcmullin, Joseph P.↗

Volcanic eruptions on Io: Heat flow, resurfacing, and lava composition

We model an infrared outburst on Io as being due to a large, erupting lava flow which increased its area at a rate of 1.5 x 10(exp 5)/sq m and cooled from 1225 to 555 K over the 2.583-hr period of observation. The inferred effusion rate of 3 x 10(exp 5) cu m/sec for this eruption is very high, but is not unprece- dented on the Earth and is similar to the high eruption rates suggested for early lunar volcanism. Eruptions occur approxi- mately 6% of the time on Io. These eruptions provide ample resurfacing to explain Io's lack of impact craters. We suggest that the large total radiometric heat flow, 10(exp 14) W, and the size and temperature distribution of the thermal anomalies (McEwen et al. 1992; Veeder et al. 1994) can be accounted for by a series of silicate lava flows in various stages of cooling. We propose that the whole suite of Io's currently observed thermal anomalies was produced by multiple, high-eruptive-rate silicate flows within the past century.

Blaney, Diana L.↗

Mapping and Modeling the Extended Winds of the Massive Interacting Binary, Eta Carinae

The combination HST/STIS high spatial and moderate spectral resolutions have revealed the massive interacting wind structure of Eta Carinae by forbidden lines of singly and doubly ionized elements. Throughout the 5.54-year period, lines of Fe++, Ne++, Ar++, S++ and N+ reveal the interacting wind structures, near critical electron densities of 10(exp 5) to 3 x 10(exp 7)cu cm, photoionized by the hot secondary, Eta Car B, Lines of Fe+ and Ni+ trace the denser (>10(exp 7)cu cm. less-ionized (< 8 eV) primary wind of Eta Car A as it wraps around the interacting binary stars. For 5 years of the 5.54 year period, the FUV radiation from Eta Car B escapes the orbital region, ionizing the boundaries of the expanding wind structures. But for three to six months, Eta Car B plunges into the primary wind approaching to within 1 to 2 AU, leading to cutoff of FUV and X-ray fluxes. The interacting wind structure, resolved out to 0.8", drops io ionization and then rebuilds as Eta Car B emerges from the primary wind envelope. Solid Particle Hydrodynamical(SPH) models have been developed extending out to 2000 AU and adapted to include FUV radiation effects of the winds. In turn, synthetic spectroimages of selected forbidden lines have been constructed and compared to the spectroimages recorded by the HST/STIS throughout 1998.0 to 2004.3, extending across the 1998 and 2003.5 minima. By this method, we show that the orbital axis of the binary system must bc within 15 degrees of the Homunculus axis of symmetry and that periastron occurs with Eta Car B passing on the far side of Eta Car B. This result ties the current binary orbit with the bipolar ejection with intervening skirt and leads to implications that the binary system influenced the mass ejection of the l840s and the lesser ejection of the 1890s.

Gull, Ted↗

AT2018cow: A Luminous Millimeter Transient

We present detailed submillimeter- through centimeter-wave observations of the extraordinary extragalactic transient AT2018cow. The apparent characteristics—the high radio luminosity, the rise and long-lived emission plateau at millimeter bands, and the sub-relativistic velocity—have no precedent. A basic interpretation of the data suggests E(k) ≳ 4 X 10^(48) erg coupled to a fast but sub-relativistic (v ≈ 0.13c) shock in a dense (n(e) ≈ 3 X 10^(5) per cu. cm) medium. We find that the X-ray emission is not naturally explained by an extension of the radio-submm synchrotron spectrum, nor by inverse Compton scattering of the dominant blackbody UV/optical/IR photons by energetic electrons within the forward shock. By ∆t ≈ 20 days, the X-ray emission shows spectral softening and erratic inter-day variability. Taken together, we are led to invoke an additional source of X-ray emission: the central engine of the event. Regardless of the nature of this central engine, this source heralds a new class of energetic transients shocking a dense medium, which at early times are most readily observed at millimeter wavelengths

Anna Y. Q. Ho↗

Materials Data on Ti3Cu2Sb(PO4)6 by Materials Project

Ti3Cu2Sb(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.94 Å) and three longer (2.03 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.91 Å) and three longer (1.97 Å) Ti–O bond length. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.94 Å) and three longer (2.01 Å) Ti–O bond length. There are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.21 Å) and three longer (2.38 Å) Cu–O bond lengths. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.34 Å) and three longer (2.39 Å) Cu–O bond lengths. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.08 Å) and three longer (2.14 Å) Sb–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SbO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 19–42°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SbO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–47°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Cu+1.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+, one Cu+1.50+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Cu+1.50+, one Sb3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Cu+1.50+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom.

36 MATERIALS SCIENCE↗

Simultaneous Control of Unburned NH 3 and NO x Emissions From High Load Dual-Fuel Ammonia Operation on a High-Speed Diesel Engine Using a Cu-SCR System

Dual-fuel ammonia strategies are being investigated as a promising way to utilize NH 3 as an alternative fuel for internal combustion engines in the maritime sector. One of the remaining barriers to implementing dual-fuel NH 3 combustion strategies is understanding ways to minimize unburned NH 3 and nitrogen oxide (NO x ) emissions from these engines, both of which are elevated relative to a conventional diesel baseline. Selective catalytic reduction (SCR) systems are widely used for lean NO x emission controls for engines across transportation and stationary energy applications. SCR systems use a reducing agent, such as NH 3 , to react with NO x in the exhaust, converting it into nitrogen and water. Typically, NH 3 is injected into the exhaust as a urea solution. In dual-fuel NH 3 engines, where unburned NH 3 is present in the exhaust, an SCR system could be used to mitigate both NH 3 and NO x emissions. The presented work evaluates a commercial copper-zeolite SCR and ammonia slip catalyst system, designed for on-road diesel engine applications, for controlling unburned NH 3 and NO x emissions from a dual-fuel NH 3 combustion engine. The aftertreatment system was installed downstream of a single-cylinder four-stroke diesel engine that has been modified for dual-fuel ammonia use. Furthermore, the emissions were characterized by using a Fourier transform infrared spectrometer for both late- and early-injection diesel pilot strategies over three air–fuel equivalence ratios spanning from 1.6 to 1.0 at 1200 rpm and 12.6 bar IMEP g condition (with greater than 95% ammonia energy fraction). Initial findings indicate that the SCR achieves more than 99% NO x conversion with less than 50 ppm NH 3 slip at air–fuel equivalence ratios greater than 1.4 at the operating conditions investigated. However, these benefits are accompanied by additional N 2 O emissions that are formed over the Cu-SCR.

Catalysts↗

Materials Data on CeCdCu by Materials Project

CeCuCd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Cd atoms to form a mixture of distorted edge and face-sharing CeCd6Cu6 cuboctahedra. All Ce–Cu bond lengths are 3.22 Å. All Ce–Cd bond lengths are 3.22 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Cu–Cd bond lengths are 2.77 Å. Cd is bonded in a 3-coordinate geometry to six equivalent Ce, three equivalent Cu, and two equivalent Cd atoms. Both Cd–Cd bond lengths are 3.27 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ce4Cu3(SO)4 by Materials Project

Ce4Cu3(SO)4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent S2- and four O2- atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Ce–S bond lengths. All Ce–O bond lengths are 2.33 Å. There are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent S2- atoms to form edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. In the second Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. S2- is bonded in a 3-coordinate geometry to four equivalent Ce3+ and three Cu+1.33+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.

36 MATERIALS SCIENCE↗