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At least 1,153 records · Page 64

Copper Clusters Containing Hydrides in Trigonal Pyramidal Geometry

Structurally precise copper hydrides [Cu 11 H 2 {S 2 P(O i Pr) 2 } 6 (C≡CR) 3 ], R = Ph (1), C 6 H 4 F (2), and C 6 H 4 OMe (3), were first synthesized from the polyhydrido copper cluster [Cu 20 H 11 {S 2 P(O i Pr) 2 } 9 ] with nine equivalents of terminal alkynes. Later, their isolated yields were significantly improved by direct synthesis from [Cu(CH 3 CN) 4 ](PF 6 ), [NH 4 ][S 2 P(O i Pr) 2 ], NaBH 4 , and alkynes along with NEt 3 in THF. 1, 2, and 3 were fully characterized by single-crystal X-ray diffraction, ESI-MS, and multinuclear NMR spectroscopy. All three clustershave 11 copper atoms, adopting 3,3,4,4,4-pentacapped trigonal prismatic geometry, with two hydrides inside the Cu 11 cage, the position of which was ascertained by a single-crystal neutron diffraction structure of cluster 1 co-crystallized with a [Cu 7 (H){S 2 P(O i Pr) 2 } 6 ] (4) cluster. Six dithiophosphate and three alkynyl ligands stabilize the Cu 11 H 2 core in which the two hydrides adopt a trigonal pyramidal coordination mode. This coordination mode is so far unprecedented for hydride. The 1 H NMR resonance frequency of the two hydrides appears at 4.8 ppm, a value further confirmed by 2 H NMR spectroscopy for their deuteride derivatives [Cu 11 (D) 2 {S 2 P(O i Pr) 2 } 6 (C≡CR) 3 ]. A DFT investigation allows understanding the bonding within this new type of copper(I) hydrides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of Lithium Codoping in Enhancing the Scintillation Yield of Aluminate Garnets

The aim of this work is to clarify the scintillation-yield enhancement in Lu YAG : Pr scintillators obtained by Li codoping via integrated study of the valence state of activators, the preferential site occupancy of Li codopants, and defect structures from experimental and theoretical insights. Here, with Li codoping, the light yield and energy resolution of 10 × 10 × 10 mm 3 Lu YAG : Pr samples are improved from 156000 to 248000 photons/MeV, and 5.3 to 4.3% at 662 keV,respectively.The optical absorption spectra indicate that Li codoping does not induce conversion of stable Pr 3 + to Pr 4 + in Lu YAG : Pr single crystals. Based on the formation energies of substitutional and interstitial Li sites using density-functional-theory (DFT) calculations and the 7 Li nuclear magnetic resonance results, it is shown that the Li ions prefer to dominantly occupy the fourfold coordinated interstitial sites and fourfold coordinated Al sites. The systematic analysis of thermoluminescence glow curves, positron annihilation lifetime spectroscopies, and defect formation energies derived from DFT calculations reveals that the concentration of isolated Lu and Al vacancies as dominant acceptor defects is reduced by Li codoping, whilst the shallow Li i interstitial defects and the deep V O oxygen vacancies are introduced simultaneously. We propose that the lowering of hole trapping at defects resulting from Li codoping contributes to the scintillation-yield enhancement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Assessment of the Drag Models in the Case of a Shock Interacting With a Fixed Bed of Point Particles

Abstract In this work, three-dimensional Euler–Lagrange (EL) point-particle simulations of a shock wave interacting with a fixed bed of particles are carried out. The results from the particle-resolved (PR) simulations are used to assess the performance of the point-particle drag models during short time scales. We demonstrate that in a one-way coupled regime, the point-particle simulations recover the dominant gas dynamic features of the flow and are in a good agreement with the exact Riemann solution of a shock traveling through a sudden area contraction. Although the PR simulations are inviscid, we show that a dissipative drag is necessary to predict the mean behavior of the gas. As a model for the inviscid shock-induced (SI) drag two different models are presented in lieu of the quasi-steady drag. Finally, two-way coupled simulations are performed at four different particle volume fractions {0.10, 0.15, 0.20, 0.25} and three different incident shock Mach numbers {1.22, 1.66, 3.0} and compared against the data from PR inviscid simulations. At a lower Mach number (1.22), averaged flow quantities from the two-way coupled simulations agree well with the PR simulations. As the Mach number increases, we observe that the discrepancies between the point-particle and the PR simulations grow. A sensitivity analysis of the drag models involved reveals a strong influence of the inviscid-unsteady force on the gas quantities especially in the case of a strong shock interacting with a dense bed of particles. The use of Mach correlation beyond the subcritical regime coupled with the model for volume fraction correction is identified as a probable cause for the additional drag.

Engineering↗

Combined speckle- and propagation-based single shot two-dimensional phase retrieval method

Single-shot two-dimensional (2D) phase retrieval (PR) can recover the phase shift distribution within an object from a single 2D x-ray phase contrast image (XPCI). Two competing XPCI imaging modalities often used for single-shot 2D PR to recover material properties critical for predictive performance capabilities are: speckle-based (SP-XPCI) and propagation-based (PB-XPCI) XPCI imaging. However, PR from SP-XPCI and PB-XPCI images are, respectively, limited to reconstructing accurately slowly and rapidly varying features due to noise and differences in their contrast mechanisms. Herein, we consider a combined speckle- and propagation-based XPCI (SPB-XPCI) image by introducing a mask to generate a reference pattern and imaging in the near-to-holographic regime to induce intensity modulations in the image. We develop a single-shot 2D PR method for SPB-XPCI images of pure phase objects without imposing restrictions such as object support constraints. It is compared against PR methods inspired by those developed for SP-XPCI and PB-XPCI on simulated and experimental images of a thin glass shell before and during shockwave compression. Reconstructed phase maps show improvements in quantitative scores of root-mean-square error and structural similarity index measure using our proposed method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Some features of pararesonance /PR/ whistlers

Pararesonance (PR) whistlers observed in the topside ionosphere by the Dartmouth receiver on Ogo 6 are examined. The study extends that of Walter and Angerami (1969) to higher frequencies and shows that the upper cutoff frequency of PR whistlers closely follows a 1/L to the 4th dependence from 6 to 100 kHz (at L = 2.90 and 1.37, respectively). Most PR whistlers are attached to paralongitudinal (PL) whistlers due, presumably, to intermode coupling. The 'walking trace', or unattached PR whistler, reported by Walter and Angerami is evidently unusual. The upper cutoff frequency follows 1/L to the 4th whether attachment occurs or not. Rising sawtooth appendages starting at the upper cutoff frequency are frequency seen on PR whistlers.

Morgan, M. G.↗

Regional Variability in Convection and Rain Retrievals from the TRMM Microwave Imager (TMI)

Precipitation Radar (PR) on board the TRMM satellite shows that the average height of 30 dBz in convective rain areas of the tropics varies significantly from one region to the other. When the convection is weak this height is shallow and when convection is strong this height extends deeper into the troposphere. The brightness temperature (Tb) measured by the microwave radiometer by itself does not reflect this nature of convection satisfactorily. Radiative transfer simulations of Tbs reveal that this could be due to the variations in the vertical distribution of optically active water and ice hydrometeors and their density, shape, and size. These variations are not coupled uniquely to the strength of the convective updrafts, and as a result the Tbs do not reflect properly the convective strength indicated by PR. Because of this deficiency in the Tbs the rain rate deduced from them differs from that of PR. For this reason, to improve the estimation of rain rate we have developed an empirical method. In this method a parameter based on the areal extent of the Tbs that exceed a certain magnitude is included along with the Tbs. Rain rate deduced with this approach is better correlated with that of PR when compared to the current Version 5 operational algorithm. The percentage of rain volume as a function of rain rate, for a given region of 5deg lat. X 5deg long. over a period of three months, deduced from this method, is also in better agreement with that of the PR.

Prabhakara, C.↗

Gravity-dependent polarity of cytoplasmic streaming in Nitellopsis

The internodal cells of the characean alga Nitellopsis obtusa were chosen to investigate the effect of gravity on cytoplasmic streaming. Horizontal cells exhibit streaming with equal velocities in both directions, whereas in vertically oriented cells, the downward-streaming cytoplasm flows ca. 10% faster than the upward-streaming cytoplasm. These results are independent of the orientation of the morphological top and bottom of the cell. We define the ratio of the velocity of the downward- to the upward-streaming cytoplasm as the polar ratio (PR). The normal polarity of a cell can be reversed (PR < 1) by treatment with neutral red (NR). The NR effect may be the result of membrane hyperpolarization, caused by the opening of K+ channels. The K+ channel blocker TEA Cl- inhibits the NR effect. External Ca2+ is required for normal graviresponsiveness. The [Ca2+] of the medium determines the polarity of cytoplasmic streaming. Less than 1 micromole Ca2+ resulted in a PR < 1 while greater than 1 micromole Ca2+ resulted in the normal gravity response. The voltage-dependent Ca(2+)-channel blocker, nifedipine, inhibited the gravity response in a reversible manner, while treatment with LaCl3 resulted in a PR < 1, indicating the presence of two types of Ca2+ channels. A new model for graviperception is presented in which the whole cell acts as the gravity sensor, and the plasma membrane acts as the gravireceptor. This is supported by ligation and UV irradiation experiments which indicate that the membranes at both ends of the cell are required for graviperception. The density of the external medium also affects the PR of Nitellopsis. Calculations are presented that indicate that the weight of the protoplasm may provide enough potential energy to open ion channels.

NASA Discipline Plant Biology↗

Compound-specific Isotope Analysis of Cyanobacterial Pure cultures and Microbial Mats: Effects of Photorespiration?

Microbial mats are considered modern homologs of Precambrian stromatolites. The carbon isotopic compositions of organic matter and biomarker lipids provide clues to the depositional environments of ancient mat ecosystems. As the source of primary carbon fixation for over two billion years, an understanding of cyanobacterial lipid biosynthesis, associated isotopic discriminations, and the influence of physiological factors on growth and isotope expression is essential to help us compare modern microbial ecosystems to their ancient counterparts. Here, we report on the effects of photorespiration (PR) on the isotopic composition of cyanobacteria and biomarker lipids, and on potential PR effects associated with the composition of various microbial mats. The high light, high O2 and limiting CO2 conditions often present at the surface of microbial mats are known to support PR in cyanobacteria. The oxygenase function of ribulose bisphosphate carboxylase/oxygenase can result in photoexcretion of glycolate and subsequent degration by heterotrophic bacteria. We have found evidence which supports an isotopic depletion (increased apparent E) scaled to O2 level associated with growth of Phormidium luridum at low CO2 concentrations (less than 0.04%). Similar to previous studies, isotopic differences between biomass and lipid biomarkers, and between lipid classes were positively correlated with overall fractionation, and should provide a means of estimating the influence of PR on overall isotopic composition of microbial mats. Several examples of microbial mats growing in the hydrothermal waters of Yellowstone National Park and the hypersaline marine evaporation ponds at Guerrero Negro, Baja Sur Mexico will be compared with a view to PR as a possible explanation of the relatively heavy C-isotope composition of hypersaline mats.

Jahnke, L. L.↗

Comparisons of Instantaneous TRMM Ground Validation and Satellite Rain Rate Estimates at Different Spatial Scales

This study provides a comprehensive inter-comparison of instantaneous rain estimates from the two rain sensors aboard the TRMM satellite with ground data from thee designated Ground Validation Sites: Kwajalein Atoll, Melbourne, Florida and Houston, Texas. The satellite rain retrievals utilize rain observations collected by the TRMM microwave imager (TMI) and the Precipitation Radar (PR) aboard the TRMM satellite. Three standard instantaneous rain products are the generated from the rain information retrieved from the satellite using the TMI, PR and Combined (COM) rain algorithms. The validation data set used in this study was obtained from instantaneous rain rates inferred from ground radars at each GV site. The first comparison used 0.5(sup 0) x 0.5(sup 0) gridded data obtained from the TRMM 3668 product, and similarly gridded GV data obtained from ground-based radars. The comparisons were made at the same spatial and temporal scales in order to eliminate sampling biases in our comparisons. An additional comparison was made by averaging rain rates for the PR, COM and GV estimates within each TMI footprint (approx. 150 square kilometers). For this analysis, unconditional mean rain rates from PR, COM and GV estimates were calculated within each TMI footprint that was observed within 100 km from the respective GV site (and also observed by the PR). This analysis used all the available matching data from the period 1999-2004, representing a sample size of over 50,000 footprints for each site. In the first analysis our results showed that all of the respective rain rate estimates agree well, with some exceptions. The more salient differences were associated with heavy rain events in which one or more of the algorithms failed to properly retrieve these extreme events. Also, it appears that there is a preferred mode of precipitation for TMI rain rates at or near 2 mm per hour over the ocean. This mode was noted over ocean areas of Melbourne, Florida and Kwajalein, Republic of the Marshall Islands, and is shown to exist in TRMM tropical-global ocean areas as well. Further research by algorithm developers is needed to explain or justify the seemingly errant observed probability distributions.

Wolff, David B.↗

Comparisons of Reflectivities from the TRMM Precipitation Radar and Ground-Based Radars

Given the decade long and highly successful Tropical Rainfall Measuring Mission (TRMM), it is now possible to provide quantitative comparisons between ground-based radars (GRs) with the space-borne TRMM precipitation radar (PR) with greater certainty over longer time scales in various tropical climatological regions. This study develops an automated methodology to match and compare simultaneous TRMM PR and GR reflectivities at four primary TRMM Ground Validation (GV) sites: Houston, Texas (HSTN); Melbourne, Florida (MELB); Kwajalein, Republic of the Marshall Islands (KWAJ); and Darwin, Australia (DARW). Data from each instrument are resampled into a three-dimensional Cartesian coordinate system. The horizontal displacement during the PR data resampling is corrected. Comparisons suggest that the PR suffers significant attenuation at lower levels especially in convective rain. The attenuation correction performs quite well for convective rain but appears to slightly over-correct in stratiform rain. The PR and GR observations at HSTN, MELB and KWAJ agree to about 1 dB on average with a few exceptions, while the GR at DARW requires +1 to -5 dB calibration corrections. One of the important findings of this study is that the GR calibration offset is dependent on the reflectivity magnitude. Hence, we propose that the calibration should be carried out using a regression correction, rather than simply adding an offset value to all GR reflectivities. This methodology is developed towards TRMM GV efforts to improve the accuracy of tropical rain estimates, and can also be applied to the proposed Global Precipitation Measurement and other related activities over the globe.

Wang, Jianxin↗

Changes in the TRMM Version-5 and Version-6 Precipitation Radar Products Due to Orbit Boost

The performance of the version-5 and version-6 Tropical Rainfall Measuring Mission (TRMM) Precipitation Radar (PR) products before and after the satellite orbit boost is assessed through a series of comparisons with Weather Surveillance Radar (WSR)-88D ground-based radar in Melbourne, Florida. Analysis of the comparisons of radar reflectivity near the storm top from the ground radar and both versions of the PR indicates that the PR bias relative to the WSR radar at Melbourne is on the order of 1dB for both pre- and post-boost periods, indicating that the PR products maintain accurate calibration after the orbit boost. Comparisons with the WSR-88D near-surface reflectivity factors indicate that both versions of the PR products accurately correct for attenuation in stratiform rain. However, in convective rain, both versions exhibit negative biases in the near-surface radar reflectivity with version-6 products having larger negative biases than version-5. Rain rate comparisons between the ground and space radars show similar characteristics

Liao, Liang↗

Ground Radar Polarimetric Observations of High-Frequency Earth-Space Communication Links

Strategic roadmaps for NASA's Human Exploration and Development of Space (REDS) enterprise support near-term high-frequency communication systems that provide moderate to high data rates with dependable service. Near-earth and human planetary exploration will baseline Ka-Band, but may ultimately require the use of even higher frequencies. Increased commercial demand on low-frequency earth-space bands has also led to increased interest in the use of higher frequencies in regions like K u - and K,- band. Data is taken from the Tropical Rainfall Measuring Mission (TRMM) Precipitation Radar (PR), which operates at 13.8 GHz, and the true radar reflectivity profile is determined along the PR beam via low-frequency ground based polarimetric observations. The specific differential phase (Kdp) is measured along the beam and a theoretical model is used to determine the expected specific attenuation (k). This technique, called the k-Kdp method, uses a Fuzzy-Logic model to determine the hydrometeor type along the PR beam from which the appropriate k-Kdp relationship is used to determine k and, ultimately, the total path-integrated attenuation (PIA) on PR measurements. Measurements from PR and the NCAR S-POL radar were made during the TEFLUN-B experiment that took place near Melbourne, FL in 1998, and the TRMM-LBA campaign near Ji-Parana, Brazil in 1999.

Bolen, Steve↗

Toward a Framework for Systematic Error Modeling of NASA Spaceborne Radar with NOAA/NSSL Ground Radar-Based National Mosaic QPE

Characterization of the error associated to satellite rainfall estimates is a necessary component of deterministic and probabilistic frameworks involving space-born passive and active microwave measurement") for applications ranging from water budget studies to forecasting natural hazards related to extreme rainfall events. We focus here on the error structure of NASA's Tropical Rainfall Measurement Mission (TRMM) Precipitation Radar (PR) quantitative precipitation estimation (QPE) at ground. The problem is addressed by comparison of PR QPEs with reference values derived from ground-based measurements using NOAA/NSSL ground radar-based National Mosaic and QPE system (NMQ/Q2). A preliminary investigation of this subject has been carried out at the PR estimation scale (instantaneous and 5 km) using a three-month data sample in the southern part of US. The primary contribution of this study is the presentation of the detailed steps required to derive trustworthy reference rainfall dataset from Q2 at the PR pixel resolution. It relics on a bias correction and a radar quality index, both of which provide a basis to filter out the less trustworthy Q2 values. Several aspects of PR errors arc revealed and quantified including sensitivity to the processing steps with the reference rainfall, comparisons of rainfall detectability and rainfall rate distributions, spatial representativeness of error, and separation of systematic biases and random errors. The methodology and framework developed herein applies more generally to rainfall rate estimates from other sensors onboard low-earth orbiting satellites such as microwave imagers and dual-wavelength radars such as with the Global Precipitation Measurement (GPM) mission.

Kirstettier, Pierre-Emmanual↗

Tropical Cyclone Diurnal Cycle as Observed by TRMM

Using infrared satellite data, previous work has shown a consistent diurnal cycle in the pattern of cold cloud tops around mature tropical cyclones. In particular, an increase in the coverage by cold cloud tops often occurs in the inner core of the storm around the time of sunset and subsequently propagates outward to several hundred kilometers over the course of the following day. This consistent cycle may have important implications for structure and intensity changes of tropical cyclones and the forecasting of such changes. Because infrared satellite measurements are primarily sensitive to cloud top, the goal of this study is to use passive and active microwave measurements from the Tropical Rainfall Measurement Mission (TRMM) Microwave Imager (TMI) and Precipitation Radar (PR), respectively, to examine and better understand the tropical cyclone diurnal cycle throughout a larger depth of the storm's clouds. The National Hurricane Center's best track dataset was used to extract all PR and TMI pixels within 1000 km of each tropical cyclone that occurred in the Atlantic basin between 1998-2011. Then the data was composited according to radius (100-km bins from 0-1000 km) and local standard time (LST; 3-hr bins). Specifically, PR composites involved finding the percentage of pixels with reflectivity greater than or equal to 20 dBZ at various heights (i.e., 2-14 km in increments of 2 km) as a function of radius and time. The 37- and 85- GHz TMI channels are especially sensitive to scattering by precipitation-sized ice in the mid to upper portions of clouds. Hence, the percentage of 37- and 85-GHz polarization corrected temperatures less than various thresholds were calculated using data from all storms as a function of radius and time. For 37 GHz, thresholds of 260 K, 265 K, 270 K, and 275 K were used, and for 85 GHz, thresholds of 200-270 K in increments of 10 K were utilized. Note that convection forced by the interactions of a tropical cyclone with land (e.g., due to frictional convergence) may disrupt the natural convective cycle of a cyclone. Hence, only data pertaining to storms whose centers were greater than 300 km from land were included in the composites. Early results suggest the presence of a diurnal cycle in the PR composites of all Atlantic basin tropical cyclones from a height of 2-12 km from approximately 0-400 km radius, but the cycle is most apparent above 6 km. At a height of 8 km, there is a peak (minimum) in the percentage of PR pixels greater than or equal to 20 dBZ near 0 (21) LST in the inner core with some indication that this signal propagates outward with time. In contrast, the 37- and 85-GHz composites show little indication of a diurnal cycle at any radii, regardless of the threshold used. Ongoing work with this project will involve sub-setting the composites according to storm intensity to see if the diurnal cycle varies with storm strength. Moderate to strong vertical wind shear often leads to asymmetries in tropical cyclone convection and may disrupt the cyclone's natural diurnal cycle. Therefore, wind shear thresholds will be applied to the composites to determine if the diurnal cycle becomes more apparent in a low shear environment. Finally, other work to be completed will involve developing composites for other tropical cyclone basins, including the East Pacific, Northwest Pacific, South Pacific, and Indian Ocean.

tropical cyclones↗

Desert Research and Technology Studies (D-RATS) 2022 Test Report

The primary purpose of the 2022 Desert Research and Technology Studies (D-RATS 22) analog mission field test was to provide data and recommendations regarding how pressurized rover (PR) design, cabin configuration, driving modes, timeline constraints, and mission operations can be acceptably implemented to support future Artemis missions that include a PR. The goal of these evaluations was to provide first order feedback and data on design concepts currently being traded as options for future pressurized rover flight prototypes. The Japan Aerospace Exploration Agency (JAXA) may provide a PR for future Artemis missions. One of the primary objectives of D-RATS 2022 was to share with the JAXA PR team the processes and protocols by which NASA has learned to successfully evaluate rover concepts through integrated HITL evaluations over the past 20+ years, so that JAXA could apply any applicable lessons learned to their PR design, development, testing, and evaluation.

analog↗

User Acceptance of Shared Autonomous Vehicles

A dissertation is proposed to explore user acceptance of shared autonomous vehicles (SAVs). SAVs are facing limited user acceptance. To systematically tackle the user acceptance barriers of SAVs, the main problem can be disintegrated into two sub-problems of user acceptance of autonomous vehicles (AVs) and ridesharing. The comfort of the ride experience in AVs is a determinant of user acceptance. Understanding the influential factors and developing methodologies to quantify human comfort in AVs are essential to facilitating future research to improve human comfort in AVs. The current pooled rideshare (PR) service closely resembles the anticipated future of SAVs. Understanding why users prefer or refuse to use PR at the current stage prepares SAVs for broader acceptance in the future. Until now, a series of peer-reviewed publications have been published to achieve the technical goals. Two simulator-based user studies were conducted to instrument the research on human comfort in AVs. Statistical analysis was performed to identify the crucial vehicular behavioral factors of human comfort in AVs. The influential factors of human comfort in AVs and methodologies to quantify and detect human comfort in AVs were investigated. Two survey-based studies were deployed to facilitate the investigation of user acceptance of rideshare services. The influential factors of users' willingness to consider PR were explored and identified, and the choice behaviors in ridesharing services were comprehensively modeled and analyzed. The proposed research answers a series of fundamental questions regarding the user acceptance of SAVs. For the branch of user acceptance of AVs, the research generated guidelines for improving passenger comfort in AVs by identifying a series of autonomous driving factors of passenger comfort. The research also provides fundamental tools to estimate human comfort levels for future research and in-AV applications. For the branch of user acceptance of PR, the research provided user acceptance-aware vehicle, service, and policy design insights that can promote the usage of PR.

Su, Haotian↗

Materials Data on Pr2Se2O by Materials Project

Pr2Se2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to six Se2- and one O2- atom. There are a spread of Pr–Se bond distances ranging from 2.96–3.15 Å. The Pr–O bond length is 2.40 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to three Se2- and three equivalent O2- atoms. There are a spread of Pr–Se bond distances ranging from 3.02–3.17 Å. There are one shorter (2.41 Å) and two longer (2.44 Å) Pr–O bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Pr3+ atoms. O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on PrZn5 by Materials Project

PrZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.13 Å) and twelve longer (3.45 Å) Pr–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pr and eight Zn atoms to form a mixture of corner, edge, and face-sharing ZnPr4Zn8 cuboctahedra. There are four shorter (2.65 Å) and four longer (2.71 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗