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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Arabidopsis cytochrome b 5 proteins support fatty acid ω-3 but not ω-6 desaturation

Fatty acids are primary components of lipids, which serve as major energy sources in cells and play essential roles in membrane structure, signaling, and metabolic regulation (Shanklin and Cahoon 1998). The degree of fatty acid unsaturation critically influences lipid physicochemical properties, thereby affecting membrane fluidity and biological function (Nguyen et al. 2019). In Arabidopsis thaliana, fatty acid desaturation occurs via 2 parallel pathways: the “prokaryotic pathway” in plastids, involving glycosylglycerides, such as monogalactosyldiacylglycerol (MGDG) and digalactosyldiacylglycerol (DGDG), and phospholipid phosphatidylglycerol (PG); and the “eukaryotic pathway” in the endoplasmic reticulum (ER), involving phosphatidylcholine (PC) (Lou et al. 2014) (Supplementary Figure S1). Seven fatty acid desaturases (FADs) in Arabidopsis differentially desaturate each glycerolipid class in the plastid and ER (Nguyen et al. 2019). FAD2, an ER-resident ω-6 fatty acid desaturase, catalyzes the conversion of oleic acid (18:1) to linoleic acid (18:2), which can be further desaturated to α-linolenic acid (18:3) by FAD3, an ER-resident ω-3 fatty acid desaturase. In plastids, FAD6 catalyzes the desaturation of 18:1/16:1 to produce 18:2/16:2, while FAD7 and FAD8 redundantly convert 18:2/16:2 to 18:3/16:3 (Li-Beisson et al. 2013; Nguyen et al. 2019). Additionally, fatty acids synthesized in the ER can also be reimported into plastids to their site of de novo synthesis (Xu et al. 2010). All FADs require reducing power, in the form of 2 electrons, for catalysis, but the sources of the electrons vary between their subcellular localizations. In the ER, FAD2 and FAD3 receive electrons from a cytochrome b 5 (CB5)-based electron transfer chain comprising cytochrome b 5 reductase (CBR) and CB5. In contrast, ferredoxin serves as the electron donor for plastid-localized FAD6, FAD7, and FAD8 (Ohlrogge and Browse 1995; Andreu et al. 2007). While the relative contributions of the 2 pathways to total cellular desaturation products vary across tissues and species, most polyunsaturated FA biosynthesis in seeds occurs via ER-resident FAD2 and FAD3 (Miquel and Browse 1992; Ohlrogge and Browse 1995).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Soil Water Retention and Hydraulic Conductivity Data and Model at Pump House in East River Watershed, Colorado 2019-2024

This data package includes soil water retention and hydraulic conductivity data and model fitting results from measurements of ex-situ soil samples and in-situ soil sensors near Pump House at Mount Crested Butte in the East River Watershed. Soil water retention curves (SWRC) characterize soil water content as a function of soil water potential. SWRC depends on soil texture and pore structure and can be used to describe the constraints on biogeochemical processes in terms of soil water availability. In this data package, the sample identification follows the format ER-X-Y, where ER refers to East River, X is the location identifier, and Y is the depth identifier at the same X (shallow Y=1). Specifically, ER-PHS, ER-LMC, ER-LMF, and ER-SMN are associated with ecohydrology sites under the East-Taylor Watershed Community Observatory Sites directory, and ER-RBTn (upslope n=1) are sampling transects during the 2019 Rootball Campaign. The sample and location information can be found in metadata.csv. Sampling and Measurements Each sample falls into one of the three sampling methods – (1) intact cores, (2) repacked samples, or (3) soil sensors – and one of the two measurement methods – (a) laboratory or (b) in-situ. Both intact cores and repacked samples were measured using the laboratory methods, which include measurements of soil water potential (HYPROP & WP4C, METER), saturated (KSAT, METER) and unsaturated hydraulic conductivity (HYPROP). The in-situ method uses a pair of co-located soil sensors to measure volumetric water content (TEROS12, METER) and soil water potential (TEROS21, METER), and the hydraulic conductivity was not measured. In comparison, the laboratory methods progress from full saturation to dry conditions, and the in-situ method includes both dry-to-wet and wet-to-dry cycles. The sampling and measurement methods for each sample can be found in metadata.csv, and more information about the measurements is detailed in the Methods section below. Models Retention and hydraulic conductivity data were fitted with four van-Genuchten-type models (specified by “model_name” column in the files): (1) traditional constrained van Genuchten model (“vG_constrained”), (2) traditional unconstrained van Genuchten model (“vG_unconstrained”), (3) PDI-variant of the constrained van Genuchten model (“vG_constrained_PDI”), and (4) PDI-variant of the unconstrained van Genuchten model (“vG_unconstrained_PDI”). The difference between the constrained (1: n) and the unconstrained (2: n, m) van Genuchten models is the number of pore-size distribution parameters in the model equations, giving the unconstrained model more degrees of freedom when fitting the data. Between the traditional and the PDI-variant models, model fitting differs the most at the dry end of the measurements. The traditional models allow infinite suction at the residual water content (water content does not drop below residual water content), and the PDI-variant models enforce a soil water potential value of pF=6.8 (~ -630 MPa) at oven-dryness (water content reaches 0). The inclusion of the van-Genuchten-type models is due to their common application. If other retention models are required, users can access the data in data.csv for further data fitting. More information about the models can be found in the Methods section below. Fitting Tasks The model fitting can be categorized into three levels of tasks (specified by “fitting_task” column in the files). Level 1 (“fit_retention”) only includes retention data fitting (the only level available for the in-situ method). Level 2 (“fit_retention_conductivity”) includes both retention and hydraulic conductivity data fitting, and the saturated hydraulic conductivity (Ks, a parameter of the hydraulic conductivity functions) is fixed by the measurements from KSAT. Level 3 (“fit_retention_conductivity_Ks”) also includes both retention and hydraulic conductivity data fitting, but Ks is a fitted parameter without the constraints from KSAT measurements. Among the same retention models (e.g. vG_constrained models of the same sample), level 1 should produce the best retention data fitting. Level 2 should have the highest misfit of the retention and hydraulic conductivity data, because the retention and hydraulic conductivity functions share common model parameters, and the unsaturated hydraulic conductivity (HYPROP) data fitting is subject to Ks measured independently by KSAT. Level 3 should have mid-level misfits of the retention and hydraulic conductivity data. While level 3 fits the hydraulic conductivity data better than level 2, the fitted Ks value might be unreasonable due to the lack of constraints at the wet end of the measurements. General recommendation when using this data package: (1) Choice of sampling methods: Intact cores and in-situ soil sensors could be prioritized because these sampling methods are less destructive. While the repacked samples were packed to the target bulk density (estimated post-sampling, when sample volume was known), these samples had altered pore structures. Nevertheless, intact cores might suffer from sample gaps that would lead to overestimation of Ks (sample gaps can be inferred from the “soil_sample_volume” column in metadata.csv when the value is < 249). In-situ method also has higher uncertainty in characterizing the wet end of the SWRC because of sensor limitations and the difficulty in reaching full saturation under natural conditions. (2) Choice of fitting tasks: When only retention data is needed, level 1 (“fit_retention”) should be prioritized. When both retention and hydraulic conductivity data are needed, level 2 (“fit_retention_conductivity”) could be prioritized. (3) Choice of models: This could depend on what the downstream models call for. If no specific model is required, model misfit could be used as a ranking criterion. Model misfit values in terms of RMSE can be found in model_parameters.csv. The following files are included in this data package: (1) metadata.csv – This file includes the general information of each sample, including location (description, geocoordinates, elevation), sampling and measurements details (method, depth, time or period, volume, instruments), and soil physical properties (bulk density, saturated hydraulic conductivity, only applicable to physical soil samples). (2) data.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity data of each sample. Column “instrument” specifies the instrument (HYPROP, WP4C, or TEROS) used to perform the measurements. (3) model_fit.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity fitted from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the variable does not apply to that fitting task. (4) model_parameters.csv – This file includes the fitted model parameters, model misfits, and conventional water content thresholds (field capacity and wilting point) from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the parameter does not apply to that model and/or that fitting task. (5) data_Ks.csv – This file includes the saturated hydraulic conductivity measurements from KSAT. (6) /figure/*.png – This folder includes three quick visualizations of the data, retention model fitting results and misfits, and hydraulic conductivity model fitting results, misfits, and parameters. The model fitting results are separated by samples and fitting tasks and colored by models. Zoom-in required. (7) /hyprop/*.bdhx – This folder includes proprietary hyprop files that require the free Labros SoilView-Analysis (METER) to open. Users can explore data fitting using other retention models (i.e. Brooks-Corey, Fredlund-Xing, Kosugi, bimodal models). Be aware that Ks value is pre-entered under “Fitting tab, Conductivity functions parameters” for level 2 fitting. If the value is lost, please refer to metadata.csv under “Ks” column. (8) Six file-level metadata that summarize file, header, column, and variable information of all files. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

EARTH SCIENCE > LAND SURFACE > SOILS↗
NASA NTRS1974

The Economic Value of Remote Sensing of Earth Resources from Space: An ERTS Overview and the Value of Continuity of Service. Volume 1: Summary

An overview of the ERTS program is given to determine the magnitude of the benefits that can be reasonably expected to flow from an Earth Resources Survey (ERS) Program, and to assess the benefits foregone in the event of a one or two-year gap in ERS services. An independent evaluation of the benefits attributable to ERS-derived information in key application areas is presented. These include two case studies in agriculture-distribution, production and import/export, and one study in water management. The cost-effectiveness of satellites in an ERS system is studied by means of a land cover case study. The annual benefits achieveable from an ERS system are measured by the in-depth case studies to be in the range of $430 to $746 million. Benefits foregone in the event of a one-year gap in ERS service are estimated to be $147 to $220 million and $274 to $420 million for a two-year gap in ERS service.

Hazelrigg, G. A., Jr.↗
NASA NTRS1989

Rootcap structure in wild type and in a starchless mutant of Arabidopsis

Rootcaps of the wild type (WT) and of a starchless, gravitropic mutant (TC7) of Arabidopsis thaliana L. were examined by electron microscopy to identify cellular polarities with respect to gravity. In columella cells, nuclei are located proximally, and the nuclear envelope is continuous with endoplasmic reticulum (ER) that is in turn connected to nearby plasmodesmata. Impregnation of ER with osmium ferricyanide revealed numerous contacts between columella plastids and ER in both genotypes. ER is present mostly in the outer regions of the columella protoplast except in older columella cells that are developing into peripheral cells. In vertical roots, only columella cells that are intermediate in development (story 2 cells) have a higher surface density (S) of ER in the distal compared to proximal regions of the cell. The distal but not the proximal S of the ER is constant throughout columella development. Plastids are less sedimented in TC7 columella cells compared to those of the WT. It is hypothesized that plastid contact with the ER plays a role in gravity perception in both genotypes.

NASA Discipline Plant Biology↗
DOE OSTI2020

Materials Data on ErBO3 by Materials Project

ErBO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.68 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.46 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.49 Å. In the fourth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.31–2.48 Å. In the fifth Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.17–2.51 Å. In the sixth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.24–2.57 Å. There are six inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.55 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.42 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.56 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.55 Å. In the sixth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.54 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Er3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Er3+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Er3+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Er3+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Er3+ and one B3+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one B3+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one B3+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd2 by Materials Project

ErCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to two equivalent Er and twelve equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing ErEr2Cd12 cuboctahedra. Both Er–Er bond lengths are 3.42 Å. All Er–Cd bond lengths are 3.34 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Er and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.42 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Al3Si2 by Materials Project

Er2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Er–Al bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.86–2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAl2 by Materials Project

ErAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Al atoms. All Er–Er bond lengths are 3.39 Å. All Er–Al bond lengths are 3.24 Å. Al is bonded to six equivalent Er and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlEr6Al6 cuboctahedra. All Al–Al bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSi2Ni by Materials Project

ErNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Ni and ten Si atoms. All Er–Ni bond lengths are 3.02 Å. There are a spread of Er–Si bond distances ranging from 2.99–3.11 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Er and five Si atoms. There are one shorter (2.25 Å) and four longer (2.32 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.79 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Er, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgSn by Materials Project

ErAgSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ag and five Sn atoms. There are two shorter (3.27 Å) and four longer (3.56 Å) Er–Ag bond lengths. There are four shorter (3.14 Å) and one longer (3.18 Å) Er–Sn bond lengths. Ag is bonded to six equivalent Er, two equivalent Ag, and four Sn atoms to form a mixture of distorted face, edge, and corner-sharing AgEr6Ag2Sn4 cuboctahedra. Both Ag–Ag bond lengths are 3.15 Å. There are two shorter (2.84 Å) and two longer (2.89 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Mg by Materials Project

Er2Mg crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Er atoms. All Mg–Er bond lengths are 3.32 Å. Er is bonded to four equivalent Mg and eight equivalent Er atoms to form a mixture of distorted edge, face, and corner-sharing ErEr8Mg4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.57 Å) Er–Er bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgPb by Materials Project

ErAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.33 Å) and four longer (3.62 Å) Er–Ag bond lengths. There are four shorter (3.19 Å) and one longer (3.24 Å) Er–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.20 Å. There are two shorter (2.89 Å) and two longer (2.93 Å) Ag–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Er and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2S3 by Materials Project

Er2S3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with five ErS6 octahedra, edges with four ErS6 octahedra, edges with four equivalent ErS7 pentagonal bipyramids, and a faceface with one ErS6 octahedra. The corner-sharing octahedra tilt angles range from 32–49°. There are a spread of Er–S bond distances ranging from 2.67–2.91 Å. In the second Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with three ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with six ErS7 pentagonal bipyramids, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Er–S bond distances ranging from 2.70–2.94 Å. In the third Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with two ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with six ErS7 pentagonal bipyramids, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Er–S bond distances ranging from 2.71–2.93 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with five ErS7 pentagonal bipyramids, edges with four equivalent ErS6 octahedra, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 63–67°. There are a spread of Er–S bond distances ranging from 2.67–2.82 Å. In the fifth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with three ErS7 pentagonal bipyramids, edges with three ErS6 octahedra, and edges with four ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–67°. There are a spread of Er–S bond distances ranging from 2.62–2.81 Å. In the sixth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with two ErS7 pentagonal bipyramids, edges with three ErS6 octahedra, and edges with four ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–63°. There are a spread of Er–S bond distances ranging from 2.67–2.84 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with seven SEr4 trigonal pyramids, edges with four equivalent SEr5 trigonal bipyramids, and edges with six SEr4 trigonal pyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with four equivalent SEr4 tetrahedra, corners with five SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, an edgeedge with one SEr4 tetrahedra, edges with two equivalent SEr5 trigonal bipyramids, and edges with three equivalent SEr4 trigonal pyramids. In the third S2- site, S2- is bonded to five Er3+ atoms to form SEr5 square pyramids that share a cornercorner with one SEr4 tetrahedra, corners with seven SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, edges with two equivalent SEr4 tetrahedra, edges with two equivalent SEr5 trigonal bipyramids, and an edgeedge with one SEr4 trigonal pyramid. In the fourth S2- site, S2- is bonded to four Er3+ atoms to form SEr4 trigonal pyramids that share a cornercorner with one SEr5 square pyramid, corners with three equivalent SEr4 tetrahedra, corners with two equivalent SEr5 trigonal bipyramids, corners with two equivalent SEr4 trigonal pyramids, edges with three equivalent SEr5 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Er3+ atoms. In the sixth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, a cornercorner with one SEr4 tetrahedra, corners with two equivalent SEr5 trigonal bipyramids, corners with eight SEr4 trigonal pyramids, and edges with three equivalent SEr5 trigonal bipyramids. In the seventh S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, corners with five SEr5 trigonal bipyramids, corners with six SEr4 trigonal pyramids, an edgeedge with one SEr5 trigonal bipyramid, and edges with four SEr4 trigonal pyramids. In the eighth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 tetrahedra that share a cornercorner with one SEr5 square pyramid, corners with two equivalent SEr4 tetrahedra, corners with four equivalent SEr5 trigonal bipyramids, corners with four SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, edges with two equivalent SEr4 tetrahedra, and an edgeedge with one SEr5 trigonal bipyramid. In the ninth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, corners with three SEr5 trigonal bipyramids, corners with six SEr4 trigonal pyramids, an edgeedge with one SEr5 square pyramid, edges with two equivalent SEr5 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZn5 by Materials Project

ErZn5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.04–3.30 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six equivalent Zn atoms. All Zn–Zn bond lengths are 2.61 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.87 Å. In the third Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with fourteen ZnEr4Zn8 cuboctahedra, edges with four equivalent ZnEr3Zn9 cuboctahedra, and faces with fourteen ZnEr4Zn8 cuboctahedra. There are two shorter (2.49 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Er and ten Zn atoms. There are two shorter (2.63 Å) and four longer (2.71 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with thirteen ZnEr4Zn8 cuboctahedra, edges with six ZnEr3Zn9 cuboctahedra, and faces with eleven ZnEr4Zn8 cuboctahedra. There are one shorter (2.84 Å) and two longer (2.98 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsEr6CI12 by Materials Project

CsEr6CI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs is bonded in a cuboctahedral geometry to twelve I atoms. There are six shorter (4.26 Å) and six longer (4.30 Å) Cs–I bond lengths. Er is bonded in a 6-coordinate geometry to one C and five I atoms. The Er–C bond length is 2.49 Å. There are a spread of Er–I bond distances ranging from 2.99–3.51 Å. C is bonded in an octahedral geometry to six equivalent Er atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to one Cs and two equivalent Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to one Cs and three equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInAu by Materials Project

ErAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.08 Å) and one longer (3.12 Å) Er–Au bond lengths. There are two shorter (3.26 Å) and four longer (3.40 Å) Er–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Au–In bond lengths are 2.84 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Au–In bond lengths are 2.89 Å. In is bonded in a 4-coordinate geometry to six equivalent Er and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTlPd by Materials Project

ErPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.04 Å) and one longer (3.15 Å) Er–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.35 Å) Er–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.82 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.91 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCoSn2 by Materials Project

ErCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Er–Co bond lengths are 3.26 Å. There are a spread of Er–Sn bond distances ranging from 3.27–3.79 Å. Co is bonded in a 9-coordinate geometry to four equivalent Er and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.42–2.58 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Co atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Er, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗