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NASA NTRS1994

The extent of CO in the early-type galaxy NGC 4472

NGC 4472, and E/SO system, is the earliest type normal galaxy with detected CO emission, and here we present additional radio observations in the lines of CO(1-0) and CO(2-1) to determine the distribution and internal properties of this gas. The original detection is reconfirmed, but observations at five surrounding locations and at two other locations in the galaxy do not show the gas to be extended; the total H2 gas mass is estimated to be 4 x 10(exp 7) solar mass. A high CO(1-0)/CO(2-1) brightness temperature ratio is found (greater than 3), which is indicative of subthermal excitation of the CO(2-1) line that can occur at low gas temperatures and low gas densities. Also, upper limits are given for the CO(2-1) fluxes in four other early-type galaxies.

Hutchtmeier, W. K.↗

NASA NTRS1994

Convective transport over the central United States and its role in regional CO and ozone budgets

We have constructed a regional budget for boundary layer carbon monoxide over the central United States (32.5 deg - 50 deg N, 90 deg - 105 deg W), emphasizing a detailed evaluation of deep convective vertical fluxes appropriate for the month of June. Deep convective venting of the boundary layer (upward) dominates other components of the CO budget, e.g., downward convective transport, loss of CO by oxidation, anthropogenic emissions, and CO produced from oxidation of methane, isoprene, and anthropogenic nonmethane hydrocarbons (NMHCs). Calculations of deep convective venting are based on the method pf Pickering et al.(1992a) which uses a satellite-derived deep convective cloud climatology along with transport statistics from convective cloud model simulations of observed prototype squall line events. This study uses analyses of convective episodes in 1985 and 1989 and CO measurements taken during several midwestern field campaigns. Deep convective venting of the boundary layer over this moderately polluted region provides a net (upward minus downward) flux of 18.1 x 10(exp 8) kg CO/month to the free troposphere during early summer. Shallow cumulus and synoptic-scale weather systems together make a comparable contribution (total net flux 16.2 x 10(exp 8) kg CO/month). Boundary layer venting of CO with other O3 precursors leads to efficient free troposheric O3 formation. We estimate that deep convective transport of CO and other precursors over the central United States in early summer leads to a gross production of 0.66 - 1.1 Gmol O3/d in good agreement with estimates of O3 production from boundary layer venting in a continental-scale model (Jacob et al., 1993a, b). On this respect the central U.S. region acts as s `chimney' for the country, and presumably this O3 contributes to high background levels of O3 in the eastern United States and O3 export to the North Atlantic.

Thompson, Anne M.↗

NASA NTRS1997

A Comparative Study of Co-Channel Interference Suppression Techniques

We describe three methods of combatting co-channel interference (CCI): a cross-coupled phase-locked loop (CCPLL); a phase-tracking circuit (PTC), and joint Viterbi estimation based on the maximum likelihood principle. In the case of co-channel FM-modulated voice signals, the CCPLL and PTC methods typically outperform the maximum likelihood estimators when the modulation parameters are dissimilar. However, as the modulation parameters become identical, joint Viterbi estimation provides for a more robust estimate of the co-channel signals and does not suffer as much from "signal switching" which especially plagues the CCPLL approach. Good performance for the PTC requires both dissimilar modulation parameters and a priori knowledge of the co-channel signal amplitudes. The CCPLL and joint Viterbi estimators, on the other hand, incorporate accurate amplitude estimates. In addition, application of the joint Viterbi algorithm to demodulating co-channel digital (BPSK) signals in a multipath environment is also discussed. It is shown in this case that if the interference is sufficiently small, a single trellis model is most effective in demodulating the co-channel signals.

Hamkins, Jon↗

NASA NTRS1997

Reactive Nitrogen and its Correlation with O3 and CO Over the Pacific in Winter and Early Spring

Measurements of NO, NO(y), O3, and CO were made during NASA's Global Tropospheric Experiment/Pacific Exploratory Mission-West B (GTE/PEM-West B) carried out over the western Pacific in February and March 1994. NO(x) was calculated from NO using a photostationary state model ((NO(x)(sub mc)). Correlations between these species are presented, and some insights into the sources of NO(x) and NO(y) are described. The boundaries between the lower, middle, and upper troposphere have been defined at potential temperatures of 311 K and 328 K, which correspond to the geometric altitudes of about 5 and 9 km at 30degN. Enhancements in the mixing ratios of NO(y) and CO were observed in the lower and middle troposphere. A positive correlation was found between these two species suggesting that the high NO(y) values were due to anthropogenic emissions over the continental surface. On the other hand, O3 increased little with increase in CO. As a result, NO(y)/O3 ratios were higher in air more influenced by pollution. NO(y), values in 55 and 28% of the air masses sampled in the lower and middle troposphere, respectively, were higher than the clean free tropospheric NO(y)-O3 range when O3 values simultaneously observed were used. High (NOx)mc/NOy ratios between 0.15 and 0.3 were found in the boundary layer with relatively low mixing ratios of CO and NOy during the three flights. These air masses were transported from a higher altitude (approximately 5 km) and a higher latitude (approximately 50degN) within a few days. The peroxyacetyl nitrate (PAN)/NO(y) ratios were generally high (approximately 0.4) in these air masses, and the thermal decomposition of PAN was a probable source of NO(x). In the middle troposphere the (NO(x))mc mixing ratio did not generally increase with NO(y) or CO, suggesting that the transport of air masses affected by anthropogenic emissions did not increase the NO(x) level significantly. In the upper troposphere, very minor effects from the continental surface sources were seen in the CO mixing ratio. By contrast, NO(y) values in 33% of the air masses were higher than those expected when stratospheric air intrusion is assumed to be a single source of NO(y) based on NO(y)-O3 correlation analyses. This result suggests significant free tropospheric NO(y) sources, namely exhaust from the aircraft and NO production by lightning activity. In fact, spikes in the (NO(x))(sub m)c mixing ratios were observed near the aircraft corridor south of Tokyo at an altitude of 10 km. These two free tropospheric NO(x) sources were considered to be important in determining the levels of the upper tropospheric NO(x) and NO(y) during PEM-West B.

Koike, M.↗

NASA NTRS1993

(abstract) Monitoring Seasonal State and Mapping Species in Alaskan Taiga Using Imaging Radar as Input to CO(sub 2) Flux Models

Changes in the seasonal CO(sub 2) flux of the boreal forests may result from increased atmospheric CO(sub 2) concentrations and associated atmospheric warming. To monitor this potential change, a combination of remote sensing information and ecophysiological models are required. In this paper we address the use of synthetic aperture radar (SAR) data to provide some of the input to the ecophysiological models: forest type, freeze/thaw state which limits the growing season for conifers, and leaf on/off state which limits the growing season for deciduous species. AIRSAR data collected in March 1988 during an early thaw event and May 1991 during spring breakup are used to generate species maps and to determine the sensitivity of SAR to canopy freeze/thaw transitions. These data are also used to validate a microwave scattering model which is then used to determine the sensitivity of SAR to leaf on/off and soil freeze/thaw transitions. Finally, a CO(sub 2) flux algorithm which utilizes SAR data and an ecophysiological model to estimate CO(sub 2) flux is presented. CO(sub 2) flux maps are generated from which areal estimates of CO(sub 2) flux are derived.

leaf cover boreal forests radar backscatter↗

NASA NTRS2006

Raman Scattering Studies in Dilute Magnetic Semiconductor Zn(1-x)Co(x)O

Raman spectra of ZnO and Co substituted Zn1-xCoxO (ZCO) were carried out using the Raman microprobe system with an p.,+ ion laser source of 514.5 nm wavelength. The shift towards the lower frequency side of the nonpolar E210w mode and the broadening due to Co substitution in ZnO were analyzed using the phonon confinement model. The magnetic measurements showed ferromagnetic behavior with the maximum saturation magnetization (1.2micron Beta/ErCo) for 10% Co substitution, which decreased wi th at further increase in Co concentrations. The intensities of E1(LO) at 584 cm-1 and multiphonon modes at 540 cm-1 were increased with an increase in Co substitution. The additional Raman modes in ceramic targets of ZCO spectra for higher concentration of Co substitution (x=15%-20%) were identified to be due to the spinel ZnCo2O4 secondary phase.

Samanta, K.↗

NASA NTRS2022

CO Chondrite Parent Body Processing as Recorded by Noble Gases

**Introduction:** CO carbonaceous chondrites are among the most primitive meteorites, of which some experienced mild degrees of thermal alteration (up to 500 °C) in their parent asteroid. Previous studies on aqueously altered CM, CY and CR chondrites have shown that the noble gases preserved in those meteorites can be used to assess the extent of parent body processing. This is mostly due to an Ar-rich carrier phase being susceptible to aqueous alteration. In this study, we follow up on these findings by investigating the effects of mild thermal alteration on the noble gas content of CO chondrites. They are subclassified from petrologic subtype 3.0 (e.g., Yamato-81025) to 3.8 (e.g., Isna) according to the degree of thermal alteration experienced. Understanding these effects does not only help to distinguish the most primitive samples from the severely altered ones, but also adds to the picture of the primordial volatile composition and distribution, as preserved in the most primitive material which accreted from the solar nebula at different heliocentric distances. Additionally, we search for pairing among samples, as part of an ongoing survey of Antarctic CO chondrites. **Experimental:** Noble gas measurements were conducted on aliquots of ~20-25 mg from 16 different samples of varying petrologic subtype from 3.0 to 3.8. The gas extraction occurred in one temperature step at ~1700 °C, followed by separation into three fractions, He-Ne, Ar, and Kr-Xe, measured successively in a custom-built mass spectrometer. For each sample, complete gas extraction was verified by a re-extraction step at ~1750 °C. Details on the sample preparation and measurement protocols can be found in. **Results and Discussion:** In most cases, the gas concentrations for all five noble gases decrease with increasing petrologic subtype, and the trend is most pronounced for Ne. An exception is e.g. CO3.0 Colony, which is strongly terrestrially weathered. CO3.8 Isna shows an unusually short expo-sure time to cosmic rays (~0.15 Ma), which may be explained by a direct injection into a mean orbital resonance shortly after collision. The currently ill-defined Ar-rich carrier phase, found only in the least aqueously altered CM and CR samples, is still abundantly present in the predominately anhydrous CO chondrites, indicating that this component is less susceptible to moderately elevated temperatures. No CO chondrites examined so far contain solar wind, supporting the hypothesis that CO chondrites originate from the asteroidal interior. It thus remains enigmatic which material could account for the surface layer.

Noble gas↗

NASA NTRS2023

Aura/MLS Observes and SD-WACCM-X Simulates the Seasonality, Quasi-Biennial Oscillation and El Niño-Southern Oscillation of the Migrating Diurnal Tide Driving Upper Mesospheric CO Primarily Through Vertical Advection

This work uses 17 years of upper mesospheric carbon monoxide (CO) and temperature observations by the Microwave Limb Sounder (MLS) on-board the Aura satellite to present and explain the seasonal and interannual variability of the migrating diurnal tide (DW1) component of upper mesospheric CO. This work then compares these observations to simulations by the Specified Dynamics – Whole Atmosphere Community Climate Model with Ionosphere/Thermosphere eXtension (SD-WACCM-X). Results show that, for all seasons, MLS CO local-time perturbations peaks above 85 km and has a latitude structure resembling the (1,1) mode in temperature. On the other hand, SD-WACCM-X DW1 also peaks above 85 km and has a latitude structure resembling the (1,1) mode but it simulates 2 local maximum of the (1,1) mode between 85 km and 92 km. Despite the differences in altitude structure, a tendency analysis and the adiabatic displacement method revealed that, on seasonal and interannual timescales, observed and modelled CO’s (1,1) component can be reproduced solely using vertical advection. It was also found that both observed and modelled CO’s (1,1) component contains interannual oscillations with periodicities close to that of the Quasi-biennial Oscillation and the El Niño–Southern Oscillation. From these results, this work concludes that on seasonal and interannual timescales, the observed and modelled (1,1) mode affects the global structure of upper mesospheric CO primarily through vertical advection.

Cornelius Csar Jude H Salinas↗

NASA NTRS2023

Aura/MLS Observes, and SD-WACCM-X Simulates the Seasonality, Quasi-Biennial Oscillation and El Nino Southern Oscillation of the Migrating Diurnal Tide Driving Upper Mesospheric Co Primarily Through Vertical Advection

This work uses 17 years of upper mesospheric carbon monoxide (CO) and temperature observations by the Microwave Limb Sounder (MLS) on-board the Aura satellite to present and explain the seasonal and interannual variability of the migrating diurnal tide (DW1) component of upper mesospheric CO. This work then compares these observations to simulations by the Specified Dynamics – Whole Atmosphere Community Climate Model with Ionosphere/Thermosphere eXtension (SD-WACCM-X). Results show that, for all seasons, MLS CO local-time perturbations peaks above 85 km and has a latitude structure resembling the (1,1) mode in temperature. On the other hand, SD-WACCM-X DW1 also peaks above 85 km and has a latitude structure resembling the (1,1) mode but it simulates 2 local maximum of the (1,1) mode between 85 km and 92 km. Despite the differences in altitude structure, a tendency analysis and the adiabatic displacement method revealed that, on seasonal and interannual timescales, observed and modelled CO’s (1,1) component can be reproduced solely using vertical advection. It was also found that both observed and modelled CO’s (1,1) component contains interannual oscillations with periodicities close to that of the Quasi-biennial Oscillation and the El Nino Southern Oscillation. From these results, this work concludes that on seasonal and interannual timescales, the observed and modelled (1,1) mode affects the global structure of upper mesospheric CO primarily through vertical advection.

Cornelius Csar Jude H. Salinas↗

DOE OSTI2020

Co-solvents with high coulombic efficiency in propylene carbonate based electrolytes

A homologous series of cyclic carbonate or propylene carbonate (PC) analog solvents with increasing length of linear alkyl substitutes were synthesized and used as co-solvents with PC for graphite based lithium ion half cells. A graphite anode reaches a capacity around 310 mAh/g in PC and its analog co-solvents with 99.95% Coulombic efficiency. Cyclic carbonate co-solvents with longer alkyl chains are able to prevent exfoliation of graphite when used as co-solvents with PC. The cyclic carbonate co-solvents of PC compete for solvation of Li ion with PC solvent, delaying PC co-intercalation. Reduction products of PC on graphite surfaces via single-electron path form a stable Solid Electrolyte Interphase (SEI), which allows the reversible cycling of graphite.

25 ENERGY STORAGE↗

DOE OSTI2023

Renewable Diesel Production through Stand-Alone and Co-Hydrotreating of Catalytic Fast Pyrolysis Oil

Catalytic Fast Pyrolysis (CFP) of biomass followed by hydrotreating can be used for the production of renewable transportation fuels, such as sustainable aviation fuel and renewable diesel, which can reduce the dependence on fossil fuels and help achieve greenhouse gas reduction goals. Stand-alone hydrotreating of CFP oil and co-hydrotreating of the CFP oil with straight-run diesel (SRD) showed potential to produce high-quality diesel products in this study. Stand-alone hydrotreating of CFP oil produced a diesel fraction with oxygen content < 0.1 wt.% and an indicated cetane number (ICN) of 45. Co-hydrotreating of CFP oil and SRD using a 1:4 volumetric ratio produced diesel products with 0.1 wt.% of oxygen and ICNs of 42-45. Compared to CoMo/Al2O3, NiMo/Al2O3 was a more attractive catalyst for co-hydrotreating of two streams, leading to a higher carbon efficiency, a higher selectivity of cycloalkanes, a higher ICN, and enhanced desulfurization. Compared to stand-alone hydrotreating of CFP oil, co-hydrotreating with SRD could be achieved at a less severe operating condition and it produced hydrotreated products with a higher carbon efficiency. Synergy between CFP oil and SRD during co-hydrotreating process was suggested by the better experimental results in comparison with theoretical interpolation results. Co-hydrotreating gave high biogenic carbon incorporations of 91%-97% as determined by C-14 analysis.

biomass↗

DOE OSTI2023

Performance of hydrophobic physical solvents for pre-combustion CO 2 capture at a pilot scale coal gasification facility

Here, in this paper, we present the first pilot plant data for hydrophobic physical solvents for CO 2 and H 2 S removal from coal-derived H 2 -rich syngas. Four physical solvents were tested under pre-combustion CO 2 capture conditions at bench scale and pilot plant scale: one baseline hydrophilic solvent and three hydrophobic solvents. The solvents were: (1) polyethylene-glycol-dimethyl ether (PEGDME), a hydrophilic solvent analog for the commercial process Selexol, (2) tributyl- phosphate (TBP), a commercially available hydrophobic solvent, (3) polyethylene glycol-poly(dimethylsiloxane) (PEG-PDMS-3), and (4) diethyl sebacate (CASSH-1), a novel, computationally screened hydrophobic solvent developed by the National Energy Technology Laboratory (NETL). All solvents were studied under pure gas (CO 2 /N 2 /H 2 /CH 4 ) equilibrium conditions at NETL followed by pilot plant testing with syngas at the University of North Dakota Energy & Environmental Research Center (UND EERC). Long term performance of CASSH-1 and PEDGME was then assessed with results compared to process simulation predictions. Within experimental uncertainties, all solvents showed comparable CO 2 absorption performance at above room temperature operation while the hydrophobic solvents had limited water uptake and low vapor pressure, which alleviates concerns related to corrosion, water absorption, and solvent loss to evaporation. These results indicate low viscosity, low vapor pressure hydrophobic solvents are a promising option for lower cost CO 2 capture from high pressure syngas applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Reprint of "Selective conversion of CO into ethanol on Cu(511) surface reconstructed from Cu(pc): Operando studies by electrochemical scanning tunneling microscopy, mass spectrometry, quartz crystal nanobalance, and infrared spectroscopy"

A polycrystalline copper, surface-terminated by a well-defined (511)-oriented facet, was electrochemically generated by a series of step-wise surface reconstruction and iterations of mild oxidative-reductive processes in 0.1 M KOH. The electrochemical reduction of CO on the resultant stepped surface was investigated by four surface-sensitive operando methodologies: electrochemical scanning tunneling microscopy (STM), electrochemical quartz crystal nanobalance (EQCN), differential electrochemical mass spectrometry (DEMS), and polarization-modulation infrared spectroscopy (PMIRS). The stepped surface catalyzed the facile conversion of CO into ethanol, the exclusive alcohol product at a low overpotential of -1.06 V (SHE) or - 0.3 V (RHE). Additionally, the chemisorption of CO was found to be a necessary prelude to ethanol production; i.e. the surface coverages, rather than solution concentrations, of CO and its surface-bound intermediates primarily dictate the reaction rates (current densities). Contrary to the expected predominance of undercoordinated step-site reactivity over the coordination chemistry of vicinal surfaces, vibrational spectroscopic evidence reveals the involvement of terrace-bound CO adsorbates during the multi-atomic transformations associated with the production of ethanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials

This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.

36 MATERIALS SCIENCE↗

DOE OSTI2025

CeO 2 Promoted CuO/MgO-Al 2 O 3 Catalyst with Enhanced Activity and Water-Resistance for CO Oxidation

Copper (Cu)-based catalysts have emerged as cost-effective and sustainable alternatives to noble metal systems (e.g., Pt, Pd) for catalytic CO oxidation. However, their practical application is hindered by insufficient low-temperature activity and rapid deactivation under wet conditions containing moisture. To address these challenges, this work introduces CeO 2 -modified CuO/MgO-Al 2 O 3 (Cu-Ce/MA) catalysts, strategically designed to enhance the catalytic performance and water resistance simultaneously. These catalytic materials were evaluated for CO oxidation under both dry and humid conditions, revealing that CeO 2 modification significantly improves the low-temperature activity. Specifically, the optimal catalyst, Cu-30Ce/MA, achieved a 50% CO conversion temperature (T 50 ) of 151 °C, a marked reduction from 218 °C on Cu/MA reference catalyst. Furthermore, the water resistance improves in a CeO 2 content-dependent manner, with higher CeO 2 loadings imparting greater stability in humid environments. Detailed characterizations demonstrate that CeO 2 promotes the dispersion of CuO and stabilizes Cu sites, while also enhancing the low-temperature reducibility and CO adsorption capacity. Crucially, CeO 2 modification suppresses the competitive H 2 O adsorption, mitigating water-induced deactivation. These synergistic effects collectively rationalize the superior activity and durability of Cu-Ce/MA catalysts. By elucidating the dual role of CeO 2 in optimizing Cu-based systems, this study advances the rational design of cost-effective catalysts for real-world CO emission control, particularly under water-rich industrial conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Multimodal Nanoscale Mapping of Local Structure and CO 2 Adsorption in Metal–Organic Frameworks

Diamine functionalization of the metal−organic framework Mg 2 (dobpdc) (dobpdc 4− = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) significantly enhances its selectivity for CO 2 capture from flue gases and air. The structure and CO 2 capacity of such materials are typically assessed using bulk techniques that rely on averaging signal over large ensembles of unit cells, obscuring local heterogeneities, such as variations in CO 2 occupancy across individual nanocrystals. To resolve this limitation, we demonstrate a multimodal, nanoscale characterization of Mg 2 (dobpdc) appended with 1,3-diaminopropane. By employing recently developed characterization techniques at progressively smaller length scales, we uncover insights from correspondingly smaller populations of unit cells. First, we use parallel-beam 3D electron diffraction (3D ED) to identify a prominent expansion in lattice parameters upon desorption of CO 2 , as observed at the level of single nanocrystals. Second, we use convergent-probe 4D scanning transmission electron microscopy (4D-STEM) to quantify associated differences in lattice strain as a function of gas loading and diamine appending. These measurements sample small subvolumes within individual nanocrystals. Finally, we apply infrared scattering scanning near-field optical microscopy (IR s- SNOM) to confirm variable CO 2 chemisorption across adsorption sites at the surface of single nanocrystals. This multimodal, multiscale approach allows us to map heterogeneity within individual nanocrystals. Collectively, these findings emphasize the importance of local, nanoscale characterization of metal−organic frameworks in revealing previously unresolvable features that impact their performance.

Karstens, Sarah L. [University of California, Berk↗

DOE OSTI2020

Materials Data on Co(PdSe)2 by Materials Project

Pd2CoSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Co is bonded to four equivalent Pd and four equivalent Se atoms to form distorted face-sharing CoPd4Se4 tetrahedra. All Co–Pd bond lengths are 2.86 Å. All Co–Se bond lengths are 2.34 Å. Pd is bonded in a 4-coordinate geometry to two equivalent Co, three equivalent Pd, and five equivalent Se atoms. There are one shorter (2.83 Å) and two longer (2.93 Å) Pd–Pd bond lengths. There are a spread of Pd–Se bond distances ranging from 2.52–2.88 Å. Se is bonded in a 7-coordinate geometry to two equivalent Co and five equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KCo(CO)4 by Materials Project

KCo(CO)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.26 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.14 Å. In the third K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.21 Å. In the fourth K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.25 Å. There are four inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. There are a spread of Co–C bond distances ranging from 1.73–1.75 Å. In the second Co1+ site, Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. There is three shorter (1.74 Å) and one longer (1.75 Å) Co–C bond length. In the third Co1+ site, Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. There is three shorter (1.74 Å) and one longer (1.75 Å) Co–C bond length. In the fourth Co1+ site, Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. There is three shorter (1.74 Å) and one longer (1.75 Å) Co–C bond length. There are sixteen inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the sixth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the eighth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the ninth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the tenth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the eleventh C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the twelfth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the thirteenth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourteenth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the fifteenth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the sixteenth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+1.50+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the twelfth O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+1.50+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+1.50+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom.

36 MATERIALS SCIENCE↗