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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Finding of Adverse Effect and Proposed Mitigation for the Demolition of Building 23-530, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to demolish Building 23-530 in Mercury (Nevada State Historic Preservation Office [SHPO] Resource No. B15270), which is on the Nevada National Security Site (NNSS) in Nye County, Nevada. The purpose of the undertaking is related to the modernization of Mercury for future mission needs. The NNSA/NFO will implement this undertaking in accordance with the Programmatic Agreement Between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA. Building 23-530, a dormitory called Freedom Hall, was constructed in Mercury in 1982 and served as a support facility for nuclear testing for the last decade of the Cold War. The town of Mercury and the immediate surrounding area have been determined eligible for listing in the National Register of Historic Places (NRHP) as the Mercury Historic District (MHD, SHPO Resource No. D230) under Criteria A and C for their importance in supporting nuclear testing and scientific research from 1951 through 1992 (Reed 2019). Building 23-530 was identified as a contributing element to the MHD in a 2018 architectural survey of the district (Reno et al. 2018) and recorded on a Nevada Architectural Resource Assessment (ARA) form (Reno et al. 2017). Building 23-530 was also identified in Appendix C of the Mercury PA as a Category II contributing element. Category II properties are those that have several representatives in the MHD but may possess different engineering or architectural characteristics that distinguish them from other classes of similar elements. Building 23-530 is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and subject to the stipulations of the Mercury PA. The purpose of this letter report is to submit documentation related to the mitigation of the demolition of Building 23-530 (Nevada State Historic Preservation Office [SHPO] Resource No. B15270) in the Mercury Historic District (MHD, SHPO Resource No. D230) at the Nevada National Security Site (NNSS) in Nye County, Nevada. The dormitory is considered contributing to the significance of the district both for its historic importance in relation to nuclear testing under Criterion A and as a part of the distinctive design and construction of the district under Criterion C. This submission is intended to comply with the stipulations in the Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Finding of No Adverse Effect for the Façade Alteration of Building 23-117, Administration Building, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to update the façade of Building 23-117 in the town of Mercury (Nevada State Historic Preservation Office [SHPO] Resource No. B15256), which is on the Nevada National Security Site (NNSS) in Nye County, Nevada. The purpose of the undertaking is to incorporate Building 23-117 into the new Mercury campus in accordance with the master plan for the modernization of Mercury. The NNSA/NFO will implement this undertaking in accordance with the Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA. Building 23-117 was built in 1982 as the architect-engineer Administration Building1 for Holmes & Narver, a government contractor who helped design and engineer the town of Mercury and other areas on the NNSS from its inception until the termination of their contract in 1990. The building continued to be used by subsequent government contractors and is currently still in use by MSTS. The town of Mercury and the immediate surrounding area have been formally determined eligible for listing in the National Register of Historic Places (National Register, NRHP) as the Mercury Historic District (MHD, SHPO Resource No. D230) under Criteria A and C for its importance in supporting nuclear testing and scientific research from 1951 through 1992. Building 23-117 was identified as a contributing element to the MHD in a 2018 architectural survey of the district (Reno et al.) and recorded on a Nevada Architectural Resource Assessment (ARA) form (Reno et al. 2017). It is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and is subject to the stipulations of the Mercury PA. The NNSA/NFO requested that Desert Research Institute (DRI), cultural resource subject matter experts, analyze the effects of the proposed project on historic properties in the Area of Potential Effect (APE) and make a recommended finding for the undertaking in accordance with Section 106 of the NHPA and the Mercury PA. The purpose of this letter report is to submit documentation related to the mitigation of the façade alteration of Building 23-117 (Nevada State Historic Preservation Office [SHPO] Resource No. B15256) in the Mercury Historic District (MHD, SHPO Resource No. D230). This submission is intended to comply with the stipulations in the Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

DECOVALEX-2023: Task F2-Salt Final Report

The subject of Task F of DECOVALEX-2023 concerns performance assessment modelling of radioactive waste disposal in deep mined repositories. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. In Task F2-(salt), these objectives have been accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Coupled-process submodels and deterministic simulations of the entire PA model for a reference scenario for waste disposal in domal salt have been conducted. The task specification has been updated continuously since the initiation of the project to reflect the staged development of the conceptual repository model and performance metrics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Photoinitiated Reactions of Molecules and Radicals in Molecular Beams

The UV photochemistry of organic molecules is a fundamental process that governs reactions in the atmosphere, synthetic chemistry, processing of organic aerosols, and biological damage in living tissues. In many organic molecules, the ensuing evolution involves pathways that are in competition, giving rise to different products, isomerization, coupling to other electronic states, and secondary reactive collisions. Because photodissociation is usually fast (picoseconds to microseconds), these processes are far from equilibrium and are controlled by kinetic competition and dynamical forces. The work accomplished was focused primarily on the photochemistry of alpha-keto carboxylic acids, a group of acids produced from natural sources, which are implicated in aerosol formation and biological processes. In the atmosphere, they are destroyed mainly by solar radiation. Studying their photochemistry has been surprisingly difficult because of the complexity of their excited electronic states, and the effect of collisions and secondary reactions. The second project investigated the lifetime of excited electronic states of pyrazine and picoline and had both experimental and theoretical aspects. The work focused on a model molecule, pyruvic acid (PA), because it was hypothesized that it should be a good source of the unstable carbene, methylhydroxycarbene (MHC). PA has an internal hydrogen bond that controls the evolution of its decomposition. The decomposition was studied following excitation to two of its lowest excited states reached by laser irradiation at 351 and 193 nm. The photodissociation dynamics in the absence and presence of collisions was monitored and compared. Understanding the UV photochemistry requires the use of complementary experimental approaches. Two methods were enlisted, which together generated a comprehensive and detailed set of results: (i) The time-sliced velocity map imaging (SVMI) instrument at USC was exploited to determine kinetic energy release of fragments, fast dissociation timescales, and internal state distributions of fragments for which Resonance Enhanced Multiphoton Ionization (REMPI) schemes exist; and (ii) The multiplexed photoionization mass spectrometer (MPIMS) setup developed at the Sandia Combustion Research Facility was used for product discovery, achieved by exploiting tunable narrowband VUV radiation at the Advanced Light Source (ALS), and to follow in real time their subsequent unimolecular and bimolecular reactions. The experimental conditions ranged from collisionless molecular beams to study nascent products to flow reactors of variable pressures to study subsequent bimolecular reactions of the products. The goals stated above were successfully accomplished. By exciting PA to its lowest excited state, MHC was identified as the only primary product and its isomerization to vinylalcohol and acetaldehyde was directly observed in real time. Moreover, we reported the first bimolecular reaction of MHC, which was with acetaldehyde, and identified its reaction product. This paves the way for the study of other reactions of this important carbene intermediate. When excitation was carried out at 193 nm, which imparted much higher energy to PA, many more products were directly observed in real time, some deriving from three-body dissociation. Quantitative branching ratios and secondary reactions of radical products were also determined and analyzed. The studies of pyrazine and picoline focused on the second excited state of these molecules and showed (via ionization studies) that their excited states were very short lived (<100 fs) because of efficient couplings to lower electronic states via vibronic coupling. Theoretical work on modeling the absorption spectrum and decay mechanisms of the excited states are in progress in collaboration with theoreticians.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Report series: finding of effect and mitigation documentation for the mercury solar photovoltaic array and battery energy storage system, area 23, nevada national security site, nye county, nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) proposes to install solar photovoltaic (PV) power generation arrays and an associated battery energy storage system (BESS) for the town of Mercury at the Nevada National Security Site (NNSS) in Nye County, Nevada (Figure 1). The purposes of the development of this facility are to support long-term efforts to modernize Mercury and to provide energy-resilient infrastructure and address climate adaptation needs. Because it is within the boundary of the Mercury Historic District (MHD), it is subject to the terms of the Programmatic Agreement Between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (hereafter referred to as the Mercury PA). An identification and evaluation report prepared for this undertaking determined that a contributing element to the MHD, the Mercury airstrip (26NY15777), is within the APE (Haynes 2024). The Mercury airstrip was developed following the closure of Camp Desert Rock in 1957 and used until late 1963 or 1964 when the Camp Desert Rock Airport was renovated, and the Mercury Bypass road constructed. The town of Mercury and the immediate surrounding area have been determined eligible for listing in the National Register of Historic Places (NRHP) as the MHD (SHPO Resource No. D230) under Criteria A and C for its importance in supporting nuclear testing and scientific research from 1951 through 1992 (Reed 2019). Originally recorded in 2016, 26NY15777 was determined individually not eligible for listing in the NRHP because it lacked sufficient integrity to convey its significance (Palmer 2016). It was subsequently determined in 2018 to be a contributing element of the MHD in an architectural survey of the district (Palmer 2018) and identified in Appendix C of the Mercury PA as a Category I contributing element. However, as per Stipulation IV.B.2, because the airstrip had already been formally evaluated and determined not to be individually eligible for the NRHP in consultation with the SHPO, this categorization was an error. NNSA/NFO reported this to the SHPO in Haynes 2024 and the SHPO concurred on June 11, 2024 (Reed). Accordingly, the airstrip is a Category II Property for the purposes of complying with the Mercury PA. The Mercury airstrip is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and subject to the stipulations of the Mercury PA.

25 ENERGY STORAGE↗
DOE OSTI2026

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY 2025

The U.S. Department of Energy (DOE) requires the performance assessment (PA) (Department of Energy Idaho Operations Office [DOE-ID] 2018a), composite analysis (CA) (DOE-ID 2012), and CA addendum (DOE-ID 2018b) for the Remote-Handled Low-Level Waste (RHLLW) Disposal Facility at the Idaho National Laboratory (INL) Site shall be maintained to evaluate changes that could affect the performance, design, and operating basis for the facility (DOE Manual 435.1-1 Change 3, “Radioactive Waste Management Manual,” Section IV.P. [4]). The RHLLW Disposal Facility became operational in September 2018 after the completion of operational readiness activities required by DOE Order 425.1D, “Verification of Readiness to Start Up or Restart Nuclear Facilities,” and the issuance of the startup authorization by the Startup Approval Authority (Boston 2018). The first waste disposals at the RHLLW Disposal Facility began in Fiscal Year (FY) 2019. In Fiscal Year (FY) 2025, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility closure design, or institutional controls. This FY 2025 annual summary report (ASR) documents the continued adequacy of the PA, CA, operating disposal authorization statement (ODAS) (ODAS 2018), ODAS technical-basis documents, and the radioactive waste management basis (RWMB) (INL 2024a) to meet DOE Order 435.1, “Radioactive Waste Management,” performance objectives for the RHLLW Disposal Facility. Annual review of the adequacy of the PA and CA at the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of DOE Order 435.1.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2022

Ionic Liquid-Mediated Interfacial Polymerization for Fabrication of Reverse Osmosis Membranes

This study revealed the effects of incorporating ionic liquid (IL) molecules: 1-ethyl, 1-butyl, and 1-octyl-3-methyl-imidazolium chlorides with different alkyl chain lengths, in interfacial polymerization (IP) on the structure and property (i.e., permeate-flux and salt rejection ratio) relationships of resulting RO membranes. The IL additive was added in the aqueous meta-phenylene diamine (MPD; 0.1% w/v) phase, which was subsequently reacted with trimesoyl chloride (TMC; 0.004% w/v) in the hexane phase to produce polyamide (PA) barrier layer. The structure of resulting free-standing PA thin films was characterized by grazing incidence wide-angle X-rays scattering (GIWAXS), which results were correlated with the performance of thin-film composite RO membranes having PA barrier layers prepared under the same IP conditions. Additionally, the membrane surface properties were characterized by zeta potential and water contact angle measurements. It was found that the membrane prepared by the longer chain IL molecule generally showed lower salt rejection ratio and higher permeation flux, possibly due to the inclusion of IL molecules in the PA scaffold. This hypothesis was supported by the GIWAXS results, where a self-assembled surfactant-like structure formed by IL with the longest aliphatic chain length was detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Development of PFLOTRAN Transport Capability for Use in the Waste Isolation Pilot Plant Performance Assessment - 20545

Waste Isolation Pilot Plant (WIPP) performance assessment (PA) calculations estimate the probability of radionuclide release from the repository to the land surface and across the land withdrawal boundary for a regulatory period of 10,000 years after facility closure. Simulations of flow and transport in the repository and the surrounding Salado Formation are foundational to the PA. Because proposed additional waste emplacement panels would result in an asymmetric repository layout, the US Department of Energy (DOE) is preparing to transition to use of a three-dimensional (3-D) model domain for simulation of flow and transport instead of the two-dimensional (2-D) flared grid domain currently used. DOE has charged Sandia National Laboratories with developing the capability necessary to simulate processes affecting flow and transport in the WIPP in PFLOTRAN, an open-source massively parallel multi-phase flow and reactive transport code. The new flow and transport capabilities developed in PFLOTRAN incorporate WIPP-specific process models and will replace the 2-D simulators (BRAGFLO and NUTS) that are currently utilized for Salado flow and transport calculations in WIPP PA. The focus of this paper is on the development of a new Nuclear Waste Transport (NWT) mode in PFLOTRAN that has all of the capabilities necessary for Salado transport simulations, including the ability to handle complete dry-out (100% gas saturation) of arbitrary cells in the model domain, radionuclide mass conservation at step changes in porosity associated with borehole intrusion, and the ability to calculate fluxes on a flared grid. The new PFLOTRAN transport capability and a suite of verification tests were designed around a list of functional requirements for WIPP PA calculations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Structural Evidence of Interanionic Hydrogen Bonding in Phosphoric Acid Solutions

Interanionic hydrogen bonding (IAHB) is a noncovalent interaction between like-charged ions that challenges conventional electrostatic understanding. This study provides direct structural evidence of IAHB in concentrated aqueous phosphoric acid (PA) solutions, which exhibit >60% dissociation under these conditions. Oxygen K-edge X-ray absorption fine structure spectroscopy, combined with electron affinity time-dependent density functional theory calculations, reveals the formation of stable, cyclic phosphate-phosphate IAHB dimers at PA concentrations ≥7 M. Extended X-ray absorption fine structure data show distinct long-range ordering consistent with these dimers, and near-edge X-ray absorption fine structure spectra confirm a concentration-dependent transition from monomeric to dimeric species. Energy decomposition analysis through density functional theory shows that the formation of solution-phase IAHB is energetically favored and is attributed to polarization of and the charge transfer between the two fragments driven by the surrounding solvent molecules, in addition to the permanent electrostatics. These findings offers crucial structural insights into the H-bonded networks in concentrated PA, highlighting the critical role of solvent in facilitating anion–anion association.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on PaO by Materials Project

PaO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded to six equivalent O atoms to form a mixture of edge and corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.47 Å. O is bonded to six equivalent Pa atoms to form a mixture of edge and corner-sharing OPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaIr3 by Materials Project

PaIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ir atoms to form PaIr12 cuboctahedra that share corners with twelve equivalent PaIr12 cuboctahedra, edges with twenty-four equivalent IrPa4Ir8 cuboctahedra, faces with six equivalent PaIr12 cuboctahedra, and faces with twelve equivalent IrPa4Ir8 cuboctahedra. All Pa–Ir bond lengths are 2.89 Å. Ir is bonded to four equivalent Pa and eight equivalent Ir atoms to form distorted IrPa4Ir8 cuboctahedra that share corners with twelve equivalent IrPa4Ir8 cuboctahedra, edges with eight equivalent PaIr12 cuboctahedra, edges with sixteen equivalent IrPa4Ir8 cuboctahedra, faces with four equivalent PaIr12 cuboctahedra, and faces with fourteen equivalent IrPa4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaRh3 by Materials Project

PaRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Rh atoms to form PaRh12 cuboctahedra that share corners with twelve equivalent PaRh12 cuboctahedra, edges with twenty-four equivalent RhPa4Rh8 cuboctahedra, faces with six equivalent PaRh12 cuboctahedra, and faces with twelve equivalent RhPa4Rh8 cuboctahedra. All Pa–Rh bond lengths are 2.87 Å. Rh is bonded to four equivalent Pa and eight equivalent Rh atoms to form distorted RhPa4Rh8 cuboctahedra that share corners with twelve equivalent RhPa4Rh8 cuboctahedra, edges with eight equivalent PaRh12 cuboctahedra, edges with sixteen equivalent RhPa4Rh8 cuboctahedra, faces with four equivalent PaRh12 cuboctahedra, and faces with fourteen equivalent RhPa4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPaRh2 by Materials Project

MgPaRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.89 Å. Pa is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Pa–Rh bond lengths are 2.89 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pa atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaCdAu2 by Materials Project

PaAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pa–Au bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Cd atoms. All Au–Cd bond lengths are 3.04 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaCdPt2 by Materials Project

PaPt2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Pa–Pt bond lengths are 2.98 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.98 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaGa3 by Materials Project

PaGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ga atoms to form PaGa12 cuboctahedra that share corners with twelve equivalent PaGa12 cuboctahedra, edges with twenty-four equivalent GaPa4Ga8 cuboctahedra, faces with six equivalent PaGa12 cuboctahedra, and faces with twelve equivalent GaPa4Ga8 cuboctahedra. All Pa–Ga bond lengths are 3.05 Å. Ga is bonded to four equivalent Pa and eight equivalent Ga atoms to form distorted GaPa4Ga8 cuboctahedra that share corners with twelve equivalent GaPa4Ga8 cuboctahedra, edges with eight equivalent PaGa12 cuboctahedra, edges with sixteen equivalent GaPa4Ga8 cuboctahedra, faces with four equivalent PaGa12 cuboctahedra, and faces with fourteen equivalent GaPa4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaIn3 by Materials Project

PaIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent In atoms to form PaIn12 cuboctahedra that share corners with twelve equivalent PaIn12 cuboctahedra, edges with twenty-four equivalent InPa4In8 cuboctahedra, faces with six equivalent PaIn12 cuboctahedra, and faces with twelve equivalent InPa4In8 cuboctahedra. All Pa–In bond lengths are 3.32 Å. In is bonded to four equivalent Pa and eight equivalent In atoms to form InPa4In8 cuboctahedra that share corners with twelve equivalent InPa4In8 cuboctahedra, edges with eight equivalent PaIn12 cuboctahedra, edges with sixteen equivalent InPa4In8 cuboctahedra, faces with four equivalent PaIn12 cuboctahedra, and faces with fourteen equivalent InPa4In8 cuboctahedra. All In–In bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaMn2Al by Materials Project

PaMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All Pa–Mn bond lengths are 2.73 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Al atoms. All Mn–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗