Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Re”

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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Observations and Lessons Learned in Residential Roofing Integrated Photovoltaics

The data file includes field observations of residential roofing integrated photovoltaics installation that happened between July 2021 and June 2022 in California. There are 21 observations - 2 in the re-roofing category and 19 in the new construction category. The file includes two time and motion forms (Re-Roofing & New Construction) we used to capture the time it takes for each activity in the rooftop solar and electrical installation process. You will see the duration for detailed steps along with activities that are included for total installation time for the paper. There are three parts to the time and motion form - Part 1 has project and crew characteristics, product information, and inspection and permitting data and can be filled before the installation. Part 2 has the actual installation time stamps and related notes. Part 3 has the crew information and can be filled on-site or off-site, but this section is optional. The re-roofing form has pre-solar activities and gutters and vents section in Part 2 of the form, whereas new construction form includes a section for capturing the time it took for rough wiring. The re-roofing form does not include rough wiring but instead includes the final electrical wiring process. These are the key differences in both the forms. Each day/step/installation activity needs to include the crew break time as they happen and there is space available to capture the crew breaks duration. In Table 1 below, the different terms used in the time and motion form are defined and their corresponding unit of measurement stated. We also highlight the optional sections. The data is captured in total mins, total hours, person mins, person hours. You can use this form or make edits to the form to recreate the study or make your own observations. The data herein was reviewed but may not be comprehensive. NREL invites questions and inputs to improve the data, including to: Correct erroneous information Fill in missing/updated information Clarifications on data and variables Updated information may be submitted to Sushmita Jena at sushmita.jena@nlr.gov.

14 SOLAR ENERGY↗
DOE OSTI2021

Using Machine Learning to Track Objects Across Cameras

Video surveillance is one of the most important technologies used by the International Atomic Energy Agency in international safeguards. At large, complicated facilities, multiple surveillance cameras are deployed to monitor the transfer of safeguards-relevant objects across the site. During inspections, all surveillance videos are reviewed to ensure the objects are not manipulated or diverted during transfer, a laborious, time-consuming task. This work describes using deep machine learning algorithms to track objects automatically across multiple cameras, greatly improving the efficiency of the review process. The fundamental problem in this object tracking task across multiple cameras is how to associate the same object, which may show extreme intra-class variations, such as viewpoints, occlusions, and various scales, in different and even non-overlapped cameras. Object re-identification (Re-ID) in nuclear facility video surveillance is even more challenging than classic person or vehicle Re-ID problems because different instances in the same category may display an identical appearance. One observation from nuclear facility surveillance videos is that all objects must be carted (e.g., via forklift) to move. Therefore, the spatial context information of an object, which provides the feature from the carrier, is critical for the object Re-ID task. This work proposes a two-stream convolutional neural networks model that takes features of objects and their surrounding regions into account. Moreover, the custom videos usually are gleaned from different scenes from the training data, which may have extreme variations in illumination changes and/or cluttered backgrounds. Directly applying the trained model to custom videos will dramatically decrease the performance. To tackle this problem, an advanced domain adaptation technique is proposed to mitigate the gap between the data taken from different scenes. The proposed framework will track objects of interest across a nuclear complex. The resulting tracks can be used in further analyses, such as event/activity recognition, anomaly detection, etc.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

The TRANSCEND University Consortium: Theme 4: Nuclear Materials - 20431

The safe and secure management of Pu is a matter of international concern, with ∼250 t of separated Pu currently stockpiled worldwide. The UK's civil inventory of nuclear materials contains significant stocks of separated Pu from the reprocessing of Magnox and AGR spent fuels. The preferred option for the 138.5 tonnes of Pu is re-use as mixed oxide (MOx) fuel, although 5% is not suitable for re-use and is recommended for direct disposal. However, it will take more than 15 years to implement re-use, requiring that the Pu be kept in interim storage in its current state for that period, i.e. as PuO{sub 2} powder within inert steel storage cans at Sellafield. The focus of the work presented here is thus plutonium storage and the direct disposal of plutonium. The Research and Development needs of both are now pressing: in the case of storage due to it being the current default; in the case of immobilization and disposal because of a comparative lack of Research and Development on Pu conditioning and packaging due to policy uncertainty as to whether it would be disposed of in a Geologic Disposal Facility (GDF). Addressing these needs is complicated by Pu's high radioactivity, decay heat and radiotoxicity, criticality, nuclear safeguard requirements and, for some UK Pu contaminated materials targeted for disposal, poor inventory. Thus, there is also a critical requirement for underpinning research on Pu bearing materials in these two contexts. In response to these needs, the TRANSCEND Consortium (Transformative Science and Engineering for Nuclear Decommissioning, a multi-disciplinary collaboration of 11 universities and 8 key industry partners from across the UK's civil nuclear sector) is seeking to provide technical underpinning to ongoing option development for the UK's civil Pu stockpile. Whilst understanding the behaviour of plutonium during its re-use as MOx is beyond the scope of the TRANSCEND Consortium work plan, the main objectives of the work are: (1) For interim storage: to understand how the surface structure and properties of pristine and radiation damaged PuO{sub 2} change with time in the absence and presence of water; and (2) For immobilization and disposal: to understand the mechanisms of incorporation of Pu into ceramic and glass-ceramic waste-forms, as well as the effect on these of self-induced radiation damage. Each objective is being addressed through separate work packages, the details of which are discussed in this paper. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

AN ACID BAKING APPROACH TO ENHANCE RARE EARTH ELEMENT RECOVERY FROM BITUMINOUS COAL SOURCES

Rare earth elements (REE) are a group of 17 elements typically classified as light and heavy rare earth elements, which play a crucial role in developing the latest technologies for energy, defense, and medical sectors. Even though REEs have been found in more than 200 minerals, only bastnaesite, monazite and xenotime are commercially exploited for REE extraction. However, the recent exponential increase in REE demand has spurred countries such as the United States into research for the extraction of REEs from secondary sources such as coal, acid mine drainage, and coal ash. Several coal sources (e.g., Fire Clay seam coal) across the United States have been identified to contain elevated concentrations of rare earth elements (>600 ppm), and various researchers have investigated the feasibility of both physical and hydrometallurgical extraction techniques for rare earth concentration and subsequent extraction. However, both physical and direct leaching were concluded to be inefficient for RE beneficiation and extraction due to low recoveries. Alternatively, thermal treatment provides promising means for RE recovery from bituminous coal sources. The positive impact of thermal treatment/calcination was established to be due to the decarbonization and dehydroxylation of the clays, which released entrapped rare earth elements within the dominant minerals and converted them into an acid-soluble form. Nonetheless, the improvement in recovery was limited to the light REEs (LREEs) with an insignificant increase in the heavy REEs (HREE). It was demonstrated that the light and heavy REEs in the material were associated with difficult-to-leach minerals such as monazite, xenotime, and zircon, which were not decomposed by simple calcination due to their high thermal stability. Hence, roasting in the presence of chemicals was necessary to ensure the decomposition of those REE-containing minerals. As such, this study was focused on the acid baking treatment of bituminous coals with an aim to enhance REE recovery, especially HREEs. Based on the presence of REE minerals like monazite and xenotime, three pre-leach treatment methods, i.e., 1) roasting, 2) direct acid baking, and 3) acid baking after roasting were investigated. Roasting tests at 600 ⁰C revealed that the recovery of light REEs (LREEs) was enhanced while the recovery of HREEs remained relatively unaffected. LREE and HREE recovery values of 38.3% and 21.3%, respectively, were achieved using a 50 g/L sulfuric acid solution at 5% solid concentration and a solution temperature of 75 ⁰C for 2 hours. Comparatively, direct acid baking at 250 °C provided substantial increased LREE and HREE recovery values to approximately 49.4% and 53.0%, respectively, using an equivalent acid dosage. Recoveries were maximized to 77.0% and 79.6% for LREE and HREE, respectively, by roasting followed by acid baking. Similar results were obtained from the treatment of a second bituminous coal source. Due to strong correlations between REE and Al recovery values, tests were performed on kaolinite and illite, which were prominent clay minerals within the source coals. These experiments revealed that the REE recovery improvements were likely a result of dehydroxylation of clays and subsequent release and decomposition of REE-bearing minerals such as monazite, xenotime and zircon. Subsequently, a parametric study was conducted to identify the impact of acid baking parameters on rare earth element recovery. The factors investigated using a three-level statistical experimental program were acid baking time, acid solution concentration, baking temperature, and acid solution-to-solids ratio which were found to significantly impact REE and contaminant element (Al, Fe, and Ca) recovery. An increase in baking temperature up to around 250 ⁰C improved the light and heavy REE recovery values by more than 50 absolute percentage points relative to performances achieved when direct leaching. As aforementioned, acid baking was needed to both decompose the clay minerals and liberate the REE minerals, which allowed access for the acid to solubilize the REEs. Acid concentration of the solution used for acid baking was studied as a means of minimizing the amount of acid needed to achieve a target REE recovery. However, thermo-gravimetric and differential scanning calorimetry analysis (TGA-DSC) of sulfuric acid under oxidizing atmosphere revealed that the addition of water decreased the evaporation temperature, which explains the lower REE recovery values obtained when using acid concentrations less than 100%. Using pure sulfuric acid at an acid-to-solid ratio of 0.8:1 resulted in recovery values of around 70% for both LREEs and HREEs. The decomposition reaction time was relatively quick with 65% of the TREEs recovered within the first 10 minutes. Following the identification of optimum operating conditions through the parametric study, a systematic leaching study was carried out to examine the impact of leaching parameters, such as solid-to-liquid (S/L) ratio, temperature, and time, on REE recovery using acid baking conditions of 1:1 acid to solids ratio at 250 °C for 30 minutes. The solid-to-liquid ratio was varied from 1-20% by weight at 25 °C, 50 °C, and 75 °C solution temperatures. The results indicated that reaction time and solution temperature considerably impacted the recovery of heavy and light REEs. Interestingly, LREE recovery reduced from 68% at 5% S/L to 58% at 20%S/L, whereas HREE recovery of 78% remained unaffected. The decrease in the LREE recovery was determined to be due to La and Ce precipitation, likely through isomorphic substitution with calcium in gypsum. The kinetic data indicated that 67% LREE and 77% HREE recovery could be obtained within the first 15 minutes of the reaction, suggesting fast reaction kinetics. Furthermore, raising the solution temperature from 25 °C to 75 °C increased the LREE and HREE recovery from 60% and 32% to 67% and 79%, respectively. The kinetic modeling results demonstrated that the rate-limiting step in the LREE dissolution was diffusion and chemical reaction, whereas the HREE extraction was controlled by only chemical reaction. The leaching study concluded that using 20% S/L at 75 °C for 15 minutes maximized LREE and HREE recovery. The lab-scale precipitation study showed that Fe and Al in solution could be removed at pH 4.5 followed by REE precipitation at pH 6.0 using 6 mol/L NaOH. Finally, the bench-scale data was used to develop a process flowsheet for REE recovery from low-grade bituminous coal sources using acid baking. Finally, based on the proposed flowsheet, a concentrated RE-cake obtained through selective precipitation at pH 6.5 was re-leached using HCl at pH 1.5. The resultant leachate was used to identify the impact of various operating parameters on REE recovery and purity with an aim to maximize REE precipitation efficiency while minimizing the oxalic acid dosage. The operating parameters for this investigation were oxalic acid dosage, iron (III) contamination, solution pH and temperature. The resultant model suggested that oxalic acid dosage and reaction pH are the most significant factors for the REE precipitation efficiency, followed by the interaction of oxalic dosage and Fe concentration. Test results indicated that increasing the oxalic acid concentration from 0g/L to 80g/L improved the REE precipitation efficiency from approximately 4.2% to 95.0%. Furthermore, raising the solution pH from 0.5 to 2.5 considerably enhanced the precipitation efficiency from 0.0% to 98.9%. A solution temperature elevation decreased REE recovery, which indicated an exothermic reaction between REEs and oxalate anions. Finally, a high level of Fe contamination adversely impacted REE precipitation efficiency. The speciation analysis revealed that the dominant iron species in the solution system were Fe-(C₂O₄)₃³⁻, Fe-(C₂O₄)²⁻, and Fe-(C₂O₄)⁺, which consumed the majority of the oxalate anions

rare earth elements, acid baking, high-temperature↗
DOE OSTI2025

Impact Analysis of Utility-Scale Energy Storage on the ERCOT Grid in Reducing Renewable Generation Curtailments and Emissions

This paper explores the solutions for minimizing renewable energy (RE) curtailment in the Texas Electric Reliability Council of Texas (ERCOT) grid. By utilizing current and future planning data from ERCOT and the System Advisor Model from the National Renewable Energy Laboratory, we examine how future renewable energy (RE) initiatives, combined with utility-scale energy storage, can reduce CO2 emissions while reshaping Texas’s energy mix. The study projects the energy landscape from 2023 to 2033, considering the planned phase-out of fossil fuel plants and the integration of new wind/solar projects. By comparing emissions under different load scenarios, with and without storage, we demonstrate storage’s role in optimizing RE utilization. The findings of this paper provide actionable guidance for energy stakeholders, underscoring the need to expand wind and solar projects with strategic storage solutions to maximize Texas's RE capacity and substantially reduce CO2 emissions.

14 SOLAR ENERGY↗
DOE OSTI2021

Photochemical CO 2 Reduction Using Rhenium(I) Tricarbonyl Complexes with Bipyridyl-Type Ligands with and without Second Coordination Sphere Effects

In this study, the effect of phenyl, phenol, aniline, amino, and CF 3 substituents of the 2,2'-bipyridine ligand in fac-ReCl(L)(CO) 3 (L=2,2'-bipyridine derivative) catalysts on photochemical CO 2 reduction in dimethylacetamide is examined, in order to understand the structure-function relationships and to compare the catalytic activities with the previously published electrochemical results. All complexes including ReCl(bpy)(CO) 3 have similar excited-state lifetimes and emission spectra, but complex 1 with the Ph-NH 2 moiety exhibits a significantly larger molar absorption coefficient for its metal-to-ligand charge transfer (MLCT) band. All complexes we tested produce CO with only a negligible amount of H 2 and formate in self-sensitized systems in the presence of triethanolamine (TEOA) and in some cases, BIH (1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]-imidazole). The presence of the Ph-NH 2 moiety (complex 1) has a beneficial effect on both electrochemical and photochemical activity, allowing a turnover number (TON) of 32 and 120 for photochemical CO production (without and with BIH, respectively). In the case of the Ph-OH group in the second coordination sphere (complexes 4 and 6), these complexes are active for photochemical CO 2 reduction, despite the formation of a stable 6-coordinate Re-OPh intermediate via reductive deprotonation as previously observed under electrochemical conditions. Overall, BIH accelerates the rate of formation of the one-electron reduced species (OERS) of the Re catalysts and allows higher turnover frequency (TOF) and TON for CO formation. The X-ray structures of complexes 1 and 4 were determined to have distorted octahedral Re centres, and show π-π stacking interactions with neighboring molecules as well as intramolecular hydrogen bonds to the internal chloride ligands. The unusually high absorptivity of the MLCT absorption of complex 1 has been explained by TD-DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Integrating data types to estimate spatial patterns of avian migration across the Western Hemisphere

For many avian species, spatial migration patterns remain largely undescribed, especially across hemispheric extents. Recent advancements in tracking technologies and high-resolution species distribution models (i.e., eBird Status and Trends products) provide new insights into migratory bird movements and offer a promising opportunity for integrating independent data sources to describe avian migration. Here, we present a three-stage modeling framework for estimating spatial patterns of avian migration. First, we integrate tracking and band re-encounter data to quantify migratory connectivity, defined as the relative proportions of individuals migrating between breeding and nonbreeding regions. Next, we use estimated connectivity proportions along with eBird occurrence probabilities to produce probabilistic least-cost path (LCP) indices. In a final step, we use generalized additive mixed models (GAMMs) both to evaluate the ability of LCP indices to accurately predict (i.e., as a covariate) observed locations derived from tracking and band re-encounter data sets versus pseudo-absence locations during migratory periods and to create a fully integrated (i.e., eBird occurrence, LCP, and tracking/band re-encounter data) spatial prediction index for mapping species-specific seasonal migrations. To illustrate this approach, we apply this framework to describe seasonal migrations of 12 bird species across the Western Hemisphere during pre- and postbreeding migratory periods (i.e., spring and fall, respectively). We found that including LCP indices with eBird occurrence in GAMMs generally improved the ability to accurately predict observed migratory locations compared to models with eBird occurrence alone. Using three performance metrics, the eBird + LCP model demonstrated equivalent or superior fit relative to the eBird-only model for 22 of 24 species–season GAMMs. In particular, the integrated index filled in spatial gaps for species with over-water movements and those that migrated over land where there were few eBird sightings and, thus, low predictive ability of eBird occurrence probabilities (e.g., Amazonian rainforest in South America). This methodology of combining individual-based seasonal movement data with temporally dynamic species distribution models provides a comprehensive approach to integrating multiple data types to describe broad-scale spatial patterns of animal movement. Further development and customization of this approach will continue to advance knowledge about the full annual cycle and conservation of migratory birds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Materials Data on AlRe by Materials Project

ReAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Re is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Re–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReSi2 by Materials Project

ReSi2 is Protactinium-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Re is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are two shorter (2.60 Å) and eight longer (2.62 Å) Re–Si bond lengths. Si is bonded in a distorted q6 geometry to five equivalent Re and five equivalent Si atoms. There are four shorter (2.59 Å) and one longer (2.65 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al12Re by Materials Project

Al12Re crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Re is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Re–Al bond lengths are 2.72 Å. Al is bonded in a 1-coordinate geometry to one Re and ten equivalent Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoReB by Materials Project

ReCoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Re is bonded in a 5-coordinate geometry to five equivalent B atoms. There are a spread of Re–B bond distances ranging from 2.35–2.40 Å. Co is bonded to four equivalent B atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. There are a spread of Co–B bond distances ranging from 2.08–2.19 Å. B is bonded in a 9-coordinate geometry to five equivalent Re and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiRe by Materials Project

TiRe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Ti–Re bond lengths are 2.70 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3(TeI)7 by Materials Project

Re3(TeI)7 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Re3(TeI)7 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to five Te2- atoms to form edge-sharing ReTe5 square pyramids. There are a spread of Re–Te bond distances ranging from 2.71–2.73 Å. In the second Re7+ site, Re7+ is bonded to five Te2- atoms to form edge-sharing ReTe5 square pyramids. There are a spread of Re–Te bond distances ranging from 2.69–2.74 Å. In the third Re7+ site, Re7+ is bonded to five Te2- atoms to form edge-sharing ReTe5 square pyramids. There are a spread of Re–Te bond distances ranging from 2.71–2.73 Å. There are seven inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to one Re7+ and three I1- atoms. There are a spread of Te–I bond distances ranging from 2.80–3.36 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Re7+ and three I1- atoms. There are a spread of Te–I bond distances ranging from 2.80–3.85 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to one Re7+ and three I1- atoms. There are a spread of Te–I bond distances ranging from 2.79–3.72 Å. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to three Re7+ and two equivalent I1- atoms. There are one shorter (4.06 Å) and one longer (4.27 Å) Te–I bond lengths. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to three Re7+ and one I1- atom. The Te–I bond length is 4.12 Å. In the sixth Te2- site, Te2- is bonded in a 11-coordinate geometry to three Re7+ atoms. In the seventh Te2- site, Te2- is bonded in a 6-coordinate geometry to three Re7+ and two equivalent I1- atoms. There are one shorter (4.36 Å) and one longer (4.60 Å) Te–I bond lengths. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Te2- atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Te2- atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to one Te2- atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to eight Te2- atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Te2- atom. In the sixth I1- site, I1- is bonded in a distorted single-bond geometry to one Te2- atom. In the seventh I1- site, I1- is bonded in a distorted single-bond geometry to one Te2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlReO4 by Materials Project

ReTlO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. In the second Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. All Re–O bond lengths are 1.76 Å. In the third Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. All Re–O bond lengths are 1.76 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.92–3.08 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.89–3.33 Å. In the third Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.98–3.14 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ and three Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two Tl1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two Tl1+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two Tl1+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and two equivalent Tl1+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and three equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiReO4 by Materials Project

LiReO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form LiO5 trigonal bipyramids that share corners with five ReO4 tetrahedra and edges with two LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.04–2.21 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six ReO4 tetrahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.07–2.36 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six ReO4 tetrahedra and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.09–2.31 Å. There are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with five LiO6 octahedra and a cornercorner with one LiO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 27–60°. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with four LiO6 octahedra and corners with two equivalent LiO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 15–56°. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. In the third Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three LiO6 octahedra and corners with two equivalent LiO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 13–52°. There is three shorter (1.75 Å) and one longer (1.77 Å) Re–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Li1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Li1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Re7+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Re7+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one Re7+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Re7+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Re7+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Li1+ and one Re7+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Re7+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co21(ReB3)2 by Materials Project

Co21(ReB3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Re–Co bond lengths are 2.38 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to one Re and three equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Re by Materials Project

Mg3Re is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Re atoms to form distorted MgMg8Re4 cuboctahedra that share corners with twelve equivalent MgMg8Re4 cuboctahedra, edges with eight equivalent ReMg12 cuboctahedra, edges with sixteen equivalent MgMg8Re4 cuboctahedra, faces with four equivalent ReMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Re4 cuboctahedra. All Mg–Mg bond lengths are 2.94 Å. All Mg–Re bond lengths are 2.94 Å. Re is bonded to twelve equivalent Mg atoms to form ReMg12 cuboctahedra that share corners with twelve equivalent ReMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Re4 cuboctahedra, faces with six equivalent ReMg12 cuboctahedra, and faces with twelve equivalent MgMg8Re4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2ReTc by Materials Project

Ti2ReTc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Tc atoms. All Ti–Re bond lengths are 2.70 Å. All Ti–Tc bond lengths are 2.70 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Tc is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗