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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

The GPM Common Calibrated Brightness Temperature Product

The Global Precipitation Measurement (GPM) project will provide a core satellite carrying the GPM Microwave Imager (GMI) and will use microwave observations from a constellation of other satellites. Each partner with a satellite in the constellation will have a calibration that meets their own requirements and will decide on the format to archive their brightness temperature (Tb) record in GPM. However, GPM multi-sensor precipitation algorithms need to input intercalibrated Tb's in order to avoid differences among sensors introducing artifacts into the longer term climate record of precipitation. The GPM Common Calibrated Brightness Temperature Product is intended to address this problem by providing intercalibrated Tb data, called "Tc" data, where the "c" stands for common. The precipitation algorithms require a Tc file format that is both generic and flexible enough to accommodate the different passive microwave instruments. The format will provide detailed information on the processing history in order to allow future researchers to have a record of what was done. The format will be simple, including the main items of scan time, latitude, longitude, and Tc. It will also provide spacecraft orientation, spacecraft location, orbit, and instrument scan type (cross-track or conical). Another simplification is to store data in real numbers, avoiding the ambiguity of scaled data. Finally, units and descriptions will be provided in the product. The format is built on the concept of a swath, which is a series of scans that have common geolocation and common scan geometry. Scan geometry includes pixels per scan, sensor orientation, scan type, and incidence angles. The Tc algorithm and data format are being tested using the pre-GPM Precipitation Processing System (PPS) software to generate formats and 1/0 routines. In the test, data from SSM/I, TMI, AMSR-E, and WindSat are being processed and written as Tc products.

Stout, John↗
NASA NTRS2003

The Expression and Function of the Achaete-Scute Genes in Tribolium castaneum Reveals Conservation and Variation in Neural Pattern Formation and Cell Fate Specification

SUMMARY The study of achaete-scute (ac/sc) genes has recently become a paradigm to understand the evolution and development of the arthropod nervous system. We describe the identification and characterization of the ache genes in the coleopteran insect species Tribolium castaneum. We have identified two Tribolium ache genes - achaete-scute homolog (Tc-ASH) a proneural gene and asense (Tc-ase) a neural precursor gene that reside in a gene complex. Focusing on the embryonic central nervous system we fmd that Tc-ASH is expressed in all neural precursors and the proneural clusters from which they segregate. Through RNAi and misexpression studies we show that Tc-ASH is necessary for neural precursor formation in Triboliurn and sufficient for neural precursor formation in Drosophila. Comparison of the function of the Drosophila and Triboliurn proneural ac/sc genes suggests that in the Drosophila lineage these genes have maintained their ancestral function in neural precursor formation and have acquired a new role in the fate specification of individual neural precursors. Furthermore, we find that Tc-use is expressed in all neural precursors suggesting an important and conserved role for asense genes in insect nervous system development. Our analysis of the Triboliurn ache genes indicates significant plasticity in gene number, expression and function, and implicates these modifications in the evolution of arthropod neural development.

Wheeler, Scott R.↗
NASA NTRS2007

The Radiative Consistency of Atmospheric Infrared Sounder and Moderate Resolution Imaging Spectroradiometer Cloud Retrievals

The consistency of cloud top temperature (Tc) and effective cloud fraction (f) retrieved by the Atmospheric Infrared Sounder (AIRS)/Advanced Microwave Sounding Unit (AMSU) observation suite and the Moderate Resolution Imaging Spectroradiometer (MODIS) on the EOS-Aqua platform are investigated. Collocated AIRS and MODIS TC and f are compared via an 'effective scene brightness temperature' (Tb,e). Tb,e is calculated with partial field of view (FOV) contributions from TC and surface temperature (TS), weighted by f and 1-f, respectively. AIRS reports up to two cloud layers while MODIS reports up to one. However, MODIS reports TC, TS, and f at a higher spatial resolution than AIRS. As a result, pixel-scale comparisons of TC and f are difficult to interpret, demonstrating the need for alternatives such as Tb,e. AIRS-MODIS Tb,e differences ((Delta)Tb,e) for identical observing scenes are useful as a diagnostic for cloud quantity comparisons. The smallest values of DTb,e are for high and opaque clouds, with increasing scatter in (Delta)Tb,e for clouds of smaller opacity and lower altitude. A persistent positive bias in DTb,e is observed in warmer and low-latitude scenes, characterized by a mixture of MODIS CO2 slicing and 11-mm window retrievals. These scenes contain heterogeneous cloud cover, including mixtures of multilayered cloudiness and misplaced MODIS cloud top pressure. The spatial patterns of (Delta)Tb,e are systematic and do not correlate well with collocated AIRS-MODIS radiance differences, which are more random in nature and smaller in magnitude than (Delta)Tb,e. This suggests that the observed inconsistencies in AIRS and MODIS cloud fields are dominated by retrieval algorithm differences, instead of differences in the observed radiances. The results presented here have implications for the validation of cloudy satellite retrieval algorithms, and use of cloud products in quantitative analyses.

clouds↗
NASA NTRS2010

An Investigation of the Longitudinal Proximity Effect in Superconducting and Normal Metal TES

As the TES volume and (effective) Tc become very small - for volume < 10 micrometers x 10 micrometers x 0.5 micrometers and Tc < 90 mK - we approach a regime in which the noise equivalent power is dominated by fluctuations in power dissipating from the TES electrons to its phonons. Our ultimate goal is to build a TES bolometer that operates in this regime to be used for far-infrared and sub-mm astronomy. In this study, we characterize the R vs T behavior of small TES in order to engineer a TES bolometer that has a very low Tc. Sadleir et al found that as the distance L between two superconducting leads, with the lead Tc >> the TES Tc, connected at opposite ends of TES approaches zero, superconductivity is induced parallel to the current flow, or longitudinally, and results in a much higher effective TES Te. Here we present effective Te measurements of Mo/Au TES bounded by Nb leads as a function of L which ranges between 4 and 36 micrometer. We observe that the effective Te is suppressed for current density of order 10(exp -6) A/sq micrometers. We also explore the possibility of using a normal metal TES.

Brown, Ari-David↗
NASA NTRS2011

Observed Recent Trends in Tropical Cyclone Rainfall Over Major Ocean Basins

In this study, we use Tropical Rainfall Measuring Mission (TRMM) and Global Precipitation Climatology Project (GPCP) rainfall data together with historical storm track records to examine the trend of tropical cyclone (TC) rainfall in major ocean basins during recent decades (1980-2007). We find that accumulated total rainfall along storm tracks for all tropical cyclones shows a weak positive trend over the whole tropics. However, total rainfall associated with weak storms, and intense storms (Category 4-5) both show significant positive trends, while total rainfall associated with intermediate storms (Category1-3) show a significant negative trend. Storm intensity defined as total rain produced per unit storm also shows increasing trend for all storm types. Basin-wide, from the first half (1980-1993) to the second half (1994-2007) of the data period, the North Atlantic shows the pronounced increase in TC number and TC rainfall while the Northeast Pacific shows a significant decrease in all storm types. Except for the Northeast Pacific, all other major basins (North Atlantic, Northwest Pacific, Southern Oceans, and Northern Indian Ocean) show a significant increase in total number and rainfall amount in Category 4-5 storms. Overall, trends in TC rainfall in different ocean basins are consistent with long-term changes in the ambient large-scale environment, including SST, vertical wind shear, sea level pressure, mid-tropospheric humidity, and Maximum Potential Intensity (MPI). Notably the pronounced positive (negative) trend of TC rainfall in the North Atlantic (Northeast Pacific) appears to be related to the most (least) rapid increase in SST and MPI, and the largest decrease (increase) in vertical wind shear in the region, relative to other ocean basins.

Lau, K. M.↗
NASA NTRS2012

Can the Lateral Proximity Effect Be Used to Create the Superconducting Transition of a Micron-Sized TES?

Recent measurements of micron-sized Mo/Au bilayer Transition Edge Sensors (TESs) have demonstrated that the TES can behave like an S-S'-S weak link due to the lateral proximity effect from superconducting leads. In this regime the Tc is a function of bias current, and the effective Tc shifts from the bilayer Tc towards the lead Tc. We explore the idea that a micron-sized S-N-S weak link could provide a new method to engineer the TES Tc. This method would be particularly useful when small size requirements for a bilayer TES (such as for a hot-electron microbolometer) lead to undesirable shifts in the bilayer Te. We present measurements of a variety of micron-sized normal Au 'TES' devices with Nb leads. We find no evidence of a superconducting transition in the Au film of these devices, in dramatic contrast to the strong lateral proximity effect seen in micron-sized Mo/Au bilayer devices. The absence of a transition in these devices is also in disagreement with theoretical predictions for S-N-S weak links. We hypothesize that a finite contact resistance between the Nb and Au may be weakening the effect. We conclude that the use of the lateral proximity effect to create a superconducting transition will be difficult given current fabrication procedures.

Barrentine, E. M.↗
NASA NTRS2013

On the Current Trend of Tropical Cyclone Activity and the Lengthening of the Tropical Cyclone Season in the North Atlantic Basin

In this TP, the trend in North Atlantic basin TC activity, especially as related to the determination of the length of season (LOS) and its possible association with warming surface-air and sea-surface temperature, is revisited. In particular, examined are: (1) the trend in TC activity for the yearly intervals 1945-1965, 1966-1994, and 1995-2012 for TCs having duration NSD greater or equal to 0.25 day, less than 2 days, greater than or equal to 2 days, greater than or equal to 4 days, and greater than or equal to 8 days; (2) the latitudinal and longitudinal genesis locations of the short-lived TC (defined herein as those TCs having duration NSD less than 2 days) for the three yearly intervals; (3) the first storm day (FSD), last storm day (LSD), and LOS based on TCs having duration NSD greater than or equal to 0.25 day and NSD greater than or equal to 2 days; (4) the relationship between FSD, LSD, and LOS for TCs having duration NSD greater than or equal to 0.25 day and NSD greater than or equal to 2 days; (5) the surface-air and sea-surface temperature, wind, and North Atlantic Oscillation (NAO) during the interval 1945-2012; (6) the relationship of FSD, LSD, and LOS against surface-air and sea-surface temperature, wind, and the NAO; (7) the relationship of TC activity against surface-air and sea-surface temperature, wind, and the NAO; and (8) the relationship of TC activity against FSD and LOS. This TP represents an update to an earlier study by Wilson concerning the length of the yearly hurricane season.

Wilson, Robert M.↗
NASA NTRS2013

How Well Do Global Climate Models Simulate the Variability of Atlantic Tropical Cyclones Associated with ENSO?

The variability of Atlantic tropical cyclones (TCs) associated with El Nino-Southern Oscillation (ENSO) in model simulations is assessed and compared with observations. The model experiments are 28-yr simulations forced with the observed sea surface temperature from 1982 to 2009. The simulations were coordinated by the U.S. CLIVAR Hurricane Working Group and conducted with five global climate models (GCMs) with a total of 16 ensemble members. The model performance is evaluated based on both individual model ensemble means and multi-model ensemble mean. The latter has the highest anomaly correlation (0.86) for the interannual variability of TCs. Previous observational studies show a strong association between ENSO and Atlantic TC activity, as well as distinctions in the TC activities during eastern Pacific (EP) and central Pacific (CP) El Nino events. The analysis of track density and TC origin indicates that each model has different mean biases. Overall, the GCMs simulate the variability of Atlantic TCs well with weaker activity during EP El Nino and stronger activity during La Nina. For CP El Nino, there is a slight increase in the number of TCs as compared with EP El Nino. However, the spatial distribution of track density and TC origin is less consistent among the models. Particularly, there is no indication of increasing TC activity over the U.S. southeast coastal region as in observations. The difference between the models and observations is likely due to the bias of vertical wind shear in response to the shift of tropical heating associated with CP El Nino, as well as the model bias in the mean circulation.

Tropical Cyclones↗
NASA NTRS2014

ENSO Effect on East Asian Tropical Cyclone Landfall via Changes in Tracks and Genesis in a Statistical Model

Improvements on a statistical tropical cyclone (TC) track model in the western North Pacific Ocean are described. The goal of the model is to study the effect of El Nino-Southern Oscillation (ENSO) on East Asian TC landfall. The model is based on the International Best-Track Archive for Climate Stewardship (IBTrACS) database of TC observations for 1945-2007 and employs local regression of TC formation rates and track increments on the Nino-3.4 index and seasonally varying climate parameters. The main improvements are the inclusion of ENSO dependence in the track propagation and accounting for seasonality in both genesis and tracks. A comparison of simulations of the 1945-2007 period with observations concludes that the model updates improve the skill of this model in simulating TCs. Changes in TC genesis and tracks are analyzed separately and cumulatively in simulations of stationary extreme ENSO states. ENSO effects on regional (100-km scale) landfall are attributed to changes in genesis and tracks. The effect of ENSO on genesis is predominantly a shift in genesis location from the southeast in El Nino years to the northwest in La Nina years, resulting in higher landfall rates for the East Asian coast during La Nina. The effect of ENSO on track propagation varies seasonally and spatially. In the peak activity season (July-October), there are significant changes in mean tracks with ENSO. Landfall-rate changes from genesis- and track-ENSO effects in the Philippines cancel out, while coastal segments of Vietnam, China, the Korean Peninsula, and Japan show enhanced La Nina-year increases.

simulation↗
NASA NTRS2019

Monolithic Trace-Contaminant Sorbents Fabricated from 3D-Printed Polymer Precursors

The current trace-contaminant (TC) removal technology for use in Extravehicular Activities (EVAs) involves the use of a packed bed of acid-impregnated granular charcoal, which is difficult to regenerate. In this paper, results are presented on the development of vacuum-regenerable TC sorbents for use in the Portable Life Support System (PLSS). The sorbents are derived from 3D-printed polymer monoliths (e.g., honeycomb structures), which are then carbonized and activated in order to develop porosity, and also to enhance the TC-sorption capacity. Results are presented on the following aspects of carbon-sorbent development: (1) precursor selection; (2) monolith fabrication; (3) shape retention and strength; (4) carbon surface and porosity characterization; (5) TC-sorption capacity and vacuum-regeneration; (6) pressure drop; and (7) sub-scale sorbent prototype. The use of predominantly microporous monolithic carbon is associated with the following benefits: (a) high TC-sorption capacity; (b) low pressure drop; (c) rapid vacuum (pressure-swing) desorption due to thin monolith walls and low pressure drop; (d) good thermal management (high thermal conductivity and low adsorption/desorption thermal effects associated with physisorption); and (e) good resistance to dusty environments.

Portable Life Support System (PLSS)↗
NASA NTRS2019

Inter-annual variation of tropical cyclones simulated by GEOS-5 AGCM with modified convection scheme

The Goddard Earth Observing System version 5 (GEOS-5) global climate model with a 50-km horizontal resolution is forced by observed sea surface temperature (SST) to examine the fidelity of the seasonal-mean and inter-annual variation of tropical cyclones (TCs) in the western North Pacific (WNP) and the North Atlantic (NATL). The standard Relaxed Arakawa Schubert (RAS) deep convection scheme is modified to improve the representation of TCs, where the scheme implements a stochastic limit of the cumulus entrainment rate. The modification drives mid- and upper-tropospheric cooling and low- to mid-tropospheric drying in the background state, which tends to increase atmospheric instability. This enables the model to increase convective variability on an intra-seasonal timescale and improve the simulation of intense storms. Five-member ensemble runs with the modified RAS scheme for 12 years (1998–2009) exhibit realistic spatial distributions in the climatological-mean TC development area and their pathways over WNP and NATL. The GCM is able to reproduce the inter-annual variation of accumulated cyclone energy (ACE) by prescribing yearly varying observed SST even though the individual TC intensity is still underpredicted. A sensitivity of TC activity to El Niño–Southern Oscillation (ENSO) phase is also reproduced realistically over WNP in terms of the spatial pattern changes in the main development region and TC pathways. However, the model exhibits a notable deficiency in NATL in reproducing the observed inter-annual variation of TC activity and the sensitivity to the ENSO.

accumulated cyclone energy↗
NASA NTRSDate not supplied

NASA SPoRT Suite of Legacy and Current Satellite Products in Support of Tropical Analysis and Forecasting

The NASA Short-term Prediction, Research, and Transition (SPoRT) Program works closely with NOAA/NWS weather forecasters to transition unique satellite data and capabilities into operations in order to assist with nowcasting and short-term forecasting issues. SPoRT has applied data and capabilities from a variety of research-oriented missions to improve the operational analysis and short-term forecasting of the tropical environment and tropical cyclones(TC).Toward researching new products, SPoRT is examining the diurnal cycle of TC intensity by observing changes in precipitation, winds, and midlevel moisture, including the use of NUCAPS soundings to assess the moisture and temperature environment around TCs, as well as examining changes in sounding profiles associated with the TC diurnal cycle. SPoRT has developed capabilities to analyze the evolution and diurnal cycle of GPM/IMERG rain rates and GLM lightning characteristics associated with TC, by compass and up-/down-shear quadrants relative to the cyclone center. As Early Adopters in the Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission, SPoRT is also in the process of developing new experimental products utilizing TROPICS data. Furthermore, SPoRT is investigating the relationship between TC intensity and lightning flash size and optical energy. MSFC hosts a GOES ground rebroadcast station which enables the potential for very low latency GLM products. These products provide the ability to monitor tropical regions/systems in data-void oceanic regions and to fill the gaps in traditional observational systems. SPoRT seeks to expand our collaborations with operational centers and other stakeholders to provide new tools to aid in tropical analysis and forecasting.

satellite remote sensing↗
NASA NTRSDate not supplied

Relating Lightning Flash Size and Energy to Tropical Cyclone Structure and Intensity Change

The number and location of lightning flashes within tropical cyclones (TCs) has proven to be a useful predictor of TC intensity change. Generally, a large number of lightning flashes located within the radius of maximum wind indicates a convective structure favorable for intensification. However, weakening TCs can also exhibit numerous lightning flashes, and rapid intensification can occur in the absence of inner-core lightning. It is thus difficult to interpret what the presence or absence of inner-core lightning might mean for a TC’s future evolution. The Geostationary Lightning Mapper (GLM) offers a new capability to observe not only the number and location of lightning flashes, but also the size and optical energy of those flashes. This presentation describes the application of these new metrics to further understand the relationship between lightning and TC structural and intensity evolution. Evidence is presented that flash size and optical energy reveal more about the convective and kinematic structures relevant to intensity change than an analysis of lightning flash count and location alone. We hypothesize that large, energetic lightning flashes are generated when the TC secondary circulation is strongest, an environment which favors increased generation of ice particles in the eyewall updraft and larger charge separation through outward advection of ice in the upper-level outflow. Conversely, smaller, lower-energy lightning flashes tend to occur in more localized turbulent updrafts, which can be forced by a variety of processes – some of which act to weaken the storm. These hypotheses are supported by numerical simulations of TC convection.

Patrick Duran↗
NASA NTRS2024

Using Satellite Observations of Lightning and Precipitation to Diagnose the Behavior of Deep Convection in Tropical Cyclones Traversing the Midlatitudes

This study uses a unique combination of geostationary and low-Earth orbiting satellite-based lightning and precipitation observations, respectively, to examine the evolution of deep convection during the tropical cyclone (TC) lifecycle. The study spans the 2018-2021 Atlantic Basin hurricane seasons and is unique as it provides the first known analysis of total lightning (intra-cloud and cloud-to-ground) observed in TCs through their extratropical transition and post-tropical cyclone (PTC) phases. We consider the TC lifecycle stage, geographic location (e.g., land, coast, and ocean), shear strength, and quadrant relative to the storm motion and environmental shear vectors. Total lightning maxima are found in the forward right quadrant relative to storm motion and downshear of the TC center, consistent with previous studies using mainly cloud-to-ground lightning. Increasing environmental shear focuses the lightning maxima to the downshear right quadrant with respect to the shear vector in tropical storm phases. Vertical profiles of radar reflectivity from the Global Precipitation Measurement mission show that super electrically active convective precipitation features (>75 flashes) within the PTC phase of TCs have deeper mixed phase depths and higher reflectivity at -10°C than other phases, indicating the presence of more intense convection. Differences in the net convective behavior observed throughout TC evolution manifest in both the TC-scale frequency of lightning-producing cells and the intensity variations amongst individual convective cells. The combination of continuous lightning observations and precipitation snapshots improves our understanding of convective scale processes in TCs, especially in PTC phases, as they traverse the tropics and mid-latitudes.

Lightning↗
NASA NTRSDate not supplied

Observation of Deep Convective Cloud-Top Height and Vertical Temperature Structure of Hurricane Using Hyperspectral Infrared Sounder and its Single-Field-View Retrieval Products

Hurricanes, severe tropical cyclones (TC), or typhoons are significant natural disasters that often result in substantial loss of life and property damage. Numerous studies have indicated that changes in TC intensity are closely linked to deep convective clouds (DCC), with stronger TCs typically exhibiting higher cloud top heights (CTH) compared to weaker TCs. The CTH can help determine if a tropical depression is at the onset of rapid intensification based on case studies. Therefore, accurate determination of TC CTH will be greatly helpful for monitoring TC development and studying TC dynamics. One traditional and most common method to derive CHT from satellite observations is using the thermal brightness temperature in atmospheric channels to match the sounding temperature profile. However, it was found that thermally derived CTH has a lower bias of approximately 1 km, and this bias tends to worsen for the tallest clouds. A new method using the hyperspectral infrared sounder will be presented. From the measurements of Cross-track Infrared Sounder (CrIS) on S-NPP and J-1, along with radiative transfer simulations, we identified the inverted-V spectral feature in the ozone (O3) band (near 9.6 μm) corresponding to high clouds. The depth of the inverted-V can be used to estimate the CTH. Since the depth is computed using the peak absorption O3 channel and the nearby most transparent O3 channel in this O3 band, the uncertainties associated with cloud emissivity and scattering by cloud particles in the traditional method can be ignored. From several hurricane case studies, we found that the CHT derived using this method can accurately capture the structure of the cloud tops in the eyewall, spiral rainbands, and surrounding regions. For example, Hurricane Dorian on September 2, 2019, showed a nicely outward-sloping and circular shape eye cloud in the early morning, but the circular shape of the eyewall cloud became distorted in the afternoon. For various hurricanes we examined, the distribution of CHT for the eyewall clouds differed significantly. To better study the thermodynamic structure of hurricane clouds, this research will analyze the vertical temperature profiles from a new single Field of View (SFOV) Sounder Atmospheric Products (SiFSAP), derived using CrIS and the Advanced Technology Microwave Sounder (ATMS) onboard SNPP and JPSS-1. SiFSAP has a spatial resolution of 15 km at nadir, which surpasses most global weather and climate models and other current operational sounding products. The combined use of ATMS and CrIS allows for retrievals near hurricane eyewalls and spiral rainbands. Wind fields from NASA’s Modern-Era Retrospective Analysis for Research and Applications Version-2 (MERRA-2) and ERA5 will be used to characterize transport, and comparisons between the model temperature and water vapor profiles with the corresponding SiFSAP products will also be provided.

SiFSAP↗
DOE OSTI2022

Bioconversion of Thermochemical Intermediates

Thermochemical (TC) biofuels production via both pyrolysis and hydrothermal liquefaction produces aqueous waste streams, typically with organic compounds at concentrations of -50-100 g/L. These streams represent a wastewater treatment cost and carbon loss for the TC biorefinery, but the concentration range for these compounds is ideal for bioconversion. To that end, the Bioconversion of Thermochemical Intermediates (BTI) project is developing advanced analytics and engineered microbes to convert these waste streams to co-products, with the overall aim of improving the economics and carbon conversion efficiency of TC biorefining. To date, we have primarily focused on development of advanced analytical chemistry approaches to fully characterize TC aqueous streams and engineering of Pseudomonas putida for conversion of non-conventional substrates, including methylated phenolics, cyclic ketones, furans, and C1-C3 light oxygenates, into atom-efficient products. Two primary challenges are the rapid deployment of aqueous-compatible analytics to changing upstream conditions and dealing with the toxicity of the feed streams to engineered microbes. The project efforts have resulted in engineered strains of P. putida able to consume 90% of the organic compounds in aqueous waste streams from catalytic fast pyrolysis, more than 300-fold toxicity tolerance improvements in P. putida, and carbon closures exceeding 90% for TC wastewater streams across multiple processing technologies.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗
DOE OSTI2020

Materials Data on KTcCl3 by Materials Project

KTcCl3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.70 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.15–3.87 Å. There are two inequivalent Tc2+ sites. In the first Tc2+ site, Tc2+ is bonded in a 4-coordinate geometry to one Tc2+ and four Cl1- atoms. The Tc–Tc bond length is 2.10 Å. There are a spread of Tc–Cl bond distances ranging from 2.40–2.45 Å. In the second Tc2+ site, Tc2+ is bonded in a 4-coordinate geometry to one Tc2+ and four Cl1- atoms. There are a spread of Tc–Cl bond distances ranging from 2.40–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two K1+ and one Tc2+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two K1+ and one Tc2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two K1+ and two Tc2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two K1+ and two Tc2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tc2O5F4 by Materials Project

TcO3FTcO2F3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four TcO3F clusters and two TcO2F3 ribbons oriented in the (1, 0, 0) direction. In each TcO3F cluster, Tc7+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.70 Å) and one longer (1.71 Å) Tc–O bond length. The Tc–F bond length is 1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. F1- is bonded in a single-bond geometry to one Tc7+ atom. In each TcO2F3 ribbon, Tc7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing TcO2F4 octahedra. The corner-sharing octahedral tilt angles are 23°. Both Tc–O bond lengths are 1.69 Å. There are a spread of Tc–F bond distances ranging from 1.87–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tc7+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom.

36 MATERIALS SCIENCE↗