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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spin-polarized imaging of the antiferromagnetic structure and field-tunable bound states in kagome magnet FeSn

Abstract Kagome metals are an exciting playground for the explorations of novel phenomena at the intersection of topology, electron correlations and magnetism. The family of FeSn-based kagome magnets in particular attracted a lot of attention for simplicity of the layered crystal structure and tunable topological electronic band structure. Despite a significant progress in understanding their bulk properties, surface electronic and magnetic structures are yet to be fully explored in many of these systems. In this work, we focus on a prototypical kagome metal FeSn. Using a combination of spin-averaged and spin-polarized scanning tunneling microscopy, we provide the first atomic-scale visualization of the layered antiferromagnetic structure at the surface of FeSn. In contrast to the field-tunable electronic structure of cousin material Fe 3 Sn 2 that is a ferromagnet, we find that electronic density-of-states of FeSn is robust to the application of external magnetic field. Interestingly, despite the field insensitive electronic band structure, FeSn exhibits bound states tied to specific impurities with large effective moments that strongly couple to the magnetic field. Our experiments provide microscopic insights necessary for theoretical modeling of FeSn and serve as a spring board for spin-polarized measurements of topological magnets in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

High quality epitaxial thin films and exchange bias of antiferromagnetic Dirac semimetal FeSn

FeSn is a topological semimetal (TSM) and kagome antiferromagnet (AFM) composed of alternating Fe 3 Sn kagome planes and honeycomb Sn planes. This unique structure gives rise to exotic features in the band structures such as the coexistence of Dirac cones and flatbands near the Fermi level, fully spin-polarized 2D surface Dirac fermions, and the ability to open a large gap in the Dirac cone by reorienting the Néel vector. In this paper, we report the synthesis of high-quality epitaxial (0001) FeSn films by magnetron sputtering. Using FeSn/Py heterostructures, we show a large exchange bias effect that reaches an exchange field of 220 Oe at 5 K, providing unambiguous evidence of antiferromagnetism and strong interlayer exchange coupling in our films. Field cycling studies show steep initial training effects, highlighting the complex magnetic interactions and anisotropy. Importantly, our work provides a simple, alternative means to fabricate FeSn films and heterostructures, making it easier to explore the topological physics of AFM TSMs and develop FeSn-based spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Visualizing symmetry-breaking electronic orders in epitaxial Kagome magnet FeSn films

Abstract Kagome lattice hosts a plethora of quantum states arising from the interplay of topology, spin-orbit coupling, and electron correlations. Here, we report symmetry-breaking electronic orders tunable by an applied magnetic field in a model Kagome magnet FeSn consisting of alternating stacks of two-dimensional Fe 3 Sn Kagome and Sn 2 honeycomb layers. On the Fe 3 Sn layer terminated FeSn thin films epitaxially grown on SrTiO 3 (111) substrates, we observe trimerization of the Kagome lattice using scanning tunneling microscopy/spectroscopy, breaking its six-fold rotational symmetry while preserving the translational symmetry. Such a trimerized Kagome lattice shows an energy-dependent contrast reversal in dI/dV maps, which is significantly enhanced by bound states induced by Sn vacancy defects. This trimerized Kagome lattice also exhibits stripe modulations that are energy-dependent and tunable by an applied in-plane magnetic field, indicating symmetry-breaking nematicity from the entangled magnetic and charge degrees of freedom in antiferromagnet FeSn.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spin excitations in metallic kagome lattice FeSn and CoSn

In two-dimensional (2D) metallic kagome lattice materials, destructive interference of electronic hopping pathways around the kagome bracket can produce nearly localized electrons, and thus electronic bands that are flat in momentum space. When ferromagnetic order breaks the degeneracy of the electronic bands and splits them into the spin-up majority and spin-down minority electronic bands, quasiparticle excitations between the spin-up and spin-down flat bands should form a narrow localized spin-excitation Stoner continuum coexisting with well-defined spin waves in the long wavelengths. Here we report inelastic neutron scattering studies of spin excitations in 2D metallic kagome lattice antiferromagnetic FeSn and paramagnetic CoSn, where angle resolved photoemission spectroscopy experiments found spin-polarized and nonpolarized flat bands, respectively, below the Fermi level. Our measurements on FeSn and CoSn reveal well-defined spin waves extending above 140 meV and correlated paramagnetic scattering around Γ point below 90 meV, respectively. In addition, we observed non-dispersive excitations at ~170 meV and ~360 meV arising mostly from hydrocarbon scattering of the CYTOP-M used to glue the samples to aluminum holder. Therefore, our results established the evolution of spin excitations in FeSn and CoSn, and identified anomalous flat modes overlooked by the neutron scattering community for many years.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Inelastic Neutron Scattering Data for FeSn

Inelastic neutron scattering data from FeSn collected with the SEQUOIA spectrometer at the Spallation Neutron Source located at Oak Ridge National Laboratory. A 4.43 g sample of FeSn was used for the measurements as described in doi: https://doi.org/10.1103/PhysRevB.105.L180403 and the associated supplemental information. The data were collected with an incident energy of 500 meV. The Fermi chopper frequency was 480 Hz, which provides a resolution of 38.2 meV (FWHM) for elastic scattering. Additional details are available in https://doi.org/10.1103/PhysRevB.105.L180403 and the associated supplemental information. The data may be viewed and analyzed with the software packages Mantid (http://dx.doi.org/10.5286/SOFTWARE/MANTID) and Dave (doi: 10.6028/jres.114.025). Sample angles measured: -20 deg to 20 deg and 160 deg to 200 deg where 0 deg is defined for ki//c* Sample Orientation vectors: ‘u': '-0.0032, 0.0201, -1.0' ‘v': '-1.0, 0.0278, -0.0059'

Inelastic Neutron Scattering↗
DOE OSTI2025

Anisotropic Response of Defect Bound States to the Magnetic Field in Epitaxial FeSn Films

Crystal defects, whether intrinsic or engineered, drive many fundamental phenomena and novel functionalities of quantum materials. Here, we report symmetry-breaking phenomena induced by Sn vacancy defects on the surface of epitaxial Kagome antiferromagnetic FeSn films using low-temperature scanning tunneling microscopy and spectroscopy. Near the single Sn vacancy, anisotropic quasiparticle interference patterns are observed in the differential conductance dI/dV maps, breaking the 6-fold rotational symmetry of the Kagome layer. Furthermore, the Sn vacancy defects induce bound states that exhibit anomalous Zeeman shift under an out-of-plane magnetic field, where the energy of the bound states moves linearly toward higher energy independent of the direction of the magnetic field. Under an in-plane magnetic field, the shift of the bound state energy also shows a 2-fold oscillating behavior as a function of the azimuth angle. These findings demonstrate defectenabled new functionalities in Kagome antiferromagnets for potential applications in nanoscale spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Materials Data on FeSn by Materials Project

FeSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to two equivalent Fe and six equivalent Sn atoms. Both Fe–Fe bond lengths are 2.56 Å. All Fe–Sn bond lengths are 2.68 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeSn by Materials Project

FeSn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to four equivalent Fe and six Sn atoms. All Fe–Fe bond lengths are 2.65 Å. There are two shorter (2.65 Å) and four longer (2.71 Å) Fe–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a hexagonal planar geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc(FeSn)6 by Materials Project

Sc(FeSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Fe and eight Sn atoms to form distorted face-sharing ScFe12Sn8 hexagonal bipyramids. All Sc–Fe bond lengths are 3.47 Å. There are two shorter (2.97 Å) and six longer (3.11 Å) Sc–Sn bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Sn atoms. All Fe–Fe bond lengths are 2.69 Å. There are a spread of Fe–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sc, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Imaging real-space flat band localization in kagome magnet FeSn

Kagome lattices host flat bands due to their frustrated lattice geometry, which leads to destructive quantum interference of electron wave functions. Here, we report imaging of the kagome flat band localization in real-space using scanning tunneling microscopy. We identify both the Fe 3 Sn kagome lattice layer and the Sn 2 honeycomb layer with atomic resolution in kagome antiferromagnet FeSn. On the Fe 3 Sn lattice, at the flat band energy determined by the angle resolved photoemission spectroscopy, tunneling spectroscopy detects an unusual state localized uniquely at the Fe kagome lattice network. We further show that the vectorial in-plane magnetic field manipulates the spatial anisotropy of the localization state within each kagome unit cell. Our results are consistent with the real-space flat band localization in the magnetic kagome lattice. We further discuss the magnetic tuning of flat band localization under the spin–orbit coupled magnetic kagome lattice model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Molecular beam epitaxy of the magnetic Kagome metal FeSn on LaAlO 3 (111)

Materials with Kagome layers are expected to give rise to rich physics arising from band structures with topological properties, spin liquid behavior, and the formation of Skyrmions. Until now, most work on Kagome materials has been performed on bulk samples due to difficulties in thin film synthesis. Here, by using molecular beam epitaxy, layered Kagome-structured FeSn films are synthesized on the (111) oriented LaAlO3 substrate. Both in situ and ex situ characterizations indicate that these films are highly crystalline and c-axis oriented, with atomically smooth surfaces. The films grow as disconnected islands, with lateral dimensions on the micron meter scale. By patterning Pt electrodes using a focused electron beam, the longitudinal and transverse resistance of single islands have been measured in magnetic fields. Our work opens a pathway for exploring mesoscale transport properties in thin films of Kagome materials and related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Damped Dirac magnon in the metallic kagome antiferromagnet FeSn

The kagome lattice is a fertile platform to explore topological excitations with both Fermi-Dirac and Bose-Einstein statistics. While relativistic Dirac fermions and flat bands have been discovered in the electronic structure of kagome metals, the spin excitations have received less attention. Here, we report inelastic neutron scattering studies of the prototypical kagome magnetic metal FeSn. The spectra display well-defined spin waves extending to 120 meV. Above this energy, the spin waves become progressively broadened, reflecting interactions with the Stoner continuum. Using linear spin-wave theory, we determine an effective spin Hamiltonian that reproduces the measured dispersion. This analysis indicates that the Dirac magnon at the K point remarkably occurs on the brink of a region where well-defined spin waves become unobservable. Furthermore, our results emphasize the influential role of itinerant carriers on the topological spin excitations of metallic kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materials Data on Tb(FeSn)6 by Materials Project

TbFe6Sn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded to twelve Fe and eight Sn atoms to form distorted TbFe12Sn8 hexagonal bipyramids that share corners with four equivalent TbFe12Sn8 hexagonal bipyramids, faces with twenty-four FeTb2Fe4Sn6 cuboctahedra, and faces with four equivalent TbFe12Sn8 hexagonal bipyramids. There are a spread of Tb–Fe bond distances ranging from 3.48–3.53 Å. There are a spread of Tb–Sn bond distances ranging from 3.03–3.18 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Sn atoms to form distorted FeTb2Fe4Sn6 cuboctahedra that share corners with fourteen FeTb2Fe4Sn6 cuboctahedra, edges with six FeTb2Fe4Sn6 cuboctahedra, faces with ten FeTb2Fe4Sn6 cuboctahedra, and faces with four equivalent TbFe12Sn8 hexagonal bipyramids. There are two shorter (2.71 Å) and two longer (2.72 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.72–2.83 Å. In the second Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Sn atoms to form distorted FeTb2Fe4Sn6 cuboctahedra that share corners with fourteen FeTb2Fe4Sn6 cuboctahedra, edges with seven FeTb2Fe4Sn6 cuboctahedra, faces with nine FeTb2Fe4Sn6 cuboctahedra, and faces with four equivalent TbFe12Sn8 hexagonal bipyramids. There are two shorter (2.71 Å) and two longer (2.72 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.71–2.82 Å. In the third Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Sn atoms to form distorted FeTb2Fe4Sn6 cuboctahedra that share corners with fourteen FeTb2Fe4Sn6 cuboctahedra, edges with seven FeTb2Fe4Sn6 cuboctahedra, faces with nine FeTb2Fe4Sn6 cuboctahedra, and faces with four equivalent TbFe12Sn8 hexagonal bipyramids. There are a spread of Fe–Sn bond distances ranging from 2.71–2.83 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Tb and six Fe atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to one Tb and six Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Tb, six Fe, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tb and six Fe atoms. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(FeSn)6 by Materials Project

ErFe6Sn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Fe and eight Sn atoms to form distorted ErFe12Sn8 hexagonal bipyramids that share corners with four equivalent ErFe12Sn8 hexagonal bipyramids, faces with ten FeEr2Fe4Sn6 cuboctahedra, and faces with four ErFe12Sn8 hexagonal bipyramids. There are a spread of Er–Fe bond distances ranging from 3.45–3.56 Å. There are a spread of Er–Sn bond distances ranging from 3.02–3.16 Å. In the second Er site, Er is bonded to twelve Fe and eight Sn atoms to form distorted ErFe12Sn8 hexagonal bipyramids that share faces with fourteen FeEr2Fe4Sn6 cuboctahedra and faces with six ErFe12Sn8 hexagonal bipyramids. There are a spread of Er–Fe bond distances ranging from 3.45–3.50 Å. There are a spread of Er–Sn bond distances ranging from 3.02–3.15 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, four Fe, and six Sn atoms to form distorted FeEr2Fe4Sn6 cuboctahedra that share corners with four equivalent FeEr2Fe4Sn6 cuboctahedra, edges with two equivalent FeEr2Fe4Sn6 cuboctahedra, faces with four equivalent FeEr2Fe4Sn6 cuboctahedra, and faces with four equivalent ErFe12Sn8 hexagonal bipyramids. There are two shorter (2.70 Å) and two longer (2.71 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.71–2.83 Å. In the second Fe site, Fe is bonded to two equivalent Er, four Fe, and six Sn atoms to form distorted FeEr2Fe4Sn6 cuboctahedra that share corners with eight FeEr2Fe4Sn6 cuboctahedra, edges with five FeEr2Fe4Sn6 cuboctahedra, faces with seven FeEr2Fe4Sn6 cuboctahedra, and faces with four equivalent ErFe12Sn8 hexagonal bipyramids. There are two shorter (2.70 Å) and two longer (2.71 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.70–2.80 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Er, four Fe, and six Sn atoms. Both Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.68–2.82 Å. In the fourth Fe site, Fe is bonded to two equivalent Er, four Fe, and six Sn atoms to form distorted FeEr2Fe4Sn6 cuboctahedra that share corners with eight FeEr2Fe4Sn6 cuboctahedra, edges with five FeEr2Fe4Sn6 cuboctahedra, faces with five FeEr2Fe4Sn6 cuboctahedra, and faces with four ErFe12Sn8 hexagonal bipyramids. Both Fe–Fe bond lengths are 2.68 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.83 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to two Er, four Fe, and six Sn atoms. There are one shorter (2.69 Å) and one longer (2.72 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.69–2.82 Å. There are ten inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Er and six Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Er and six Fe atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms. In the fifth Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er and six Fe atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six Fe, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six Fe, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Er and six Fe atoms. In the ninth Sn site, Sn is bonded in a 12-coordinate geometry to three Er and six Fe atoms. In the tenth Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(FeSn)6 by Materials Project

HoFe6Sn6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Fe and eight Sn atoms to form distorted HoFe12Sn8 hexagonal bipyramids that share corners with four equivalent HoFe12Sn8 hexagonal bipyramids, faces with sixteen FeHo2Fe4Sn6 cuboctahedra, and faces with four HoFe12Sn8 hexagonal bipyramids. There are a spread of Ho–Fe bond distances ranging from 3.49–3.52 Å. There are a spread of Ho–Sn bond distances ranging from 3.02–3.17 Å. In the second Ho site, Ho is bonded to twelve Fe and eight Sn atoms to form distorted HoFe12Sn8 hexagonal bipyramids that share faces with eight FeHo2Fe4Sn6 cuboctahedra and faces with six HoFe12Sn8 hexagonal bipyramids. There are eight shorter (3.49 Å) and four longer (3.50 Å) Ho–Fe bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.02–3.16 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, four Fe, and six Sn atoms to form distorted FeHo2Fe4Sn6 cuboctahedra that share corners with eight FeHo2Fe4Sn6 cuboctahedra, edges with four FeHo2Fe4Sn6 cuboctahedra, faces with eight FeHo2Fe4Sn6 cuboctahedra, and faces with four equivalent HoFe12Sn8 hexagonal bipyramids. There are two shorter (2.71 Å) and two longer (2.72 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.72–2.83 Å. In the second Fe site, Fe is bonded to two equivalent Ho, four equivalent Fe, and six Sn atoms to form distorted FeHo2Fe4Sn6 cuboctahedra that share corners with six FeHo2Fe4Sn6 cuboctahedra, edges with three equivalent FeHo2Fe4Sn6 cuboctahedra, a faceface with one FeHo2Fe4Sn6 cuboctahedra, and faces with four HoFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.71–2.84 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Ho, four Fe, and six Sn atoms. There are two shorter (2.71 Å) and one longer (2.72 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.70–2.83 Å. In the fourth Fe site, Fe is bonded to two equivalent Ho, four Fe, and six Sn atoms to form distorted FeHo2Fe4Sn6 cuboctahedra that share corners with ten FeHo2Fe4Sn6 cuboctahedra, edges with five FeHo2Fe4Sn6 cuboctahedra, faces with five FeHo2Fe4Sn6 cuboctahedra, and faces with four HoFe12Sn8 hexagonal bipyramids. There are a spread of Fe–Sn bond distances ranging from 2.69–2.83 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Ho and six Fe atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to one Ho and six Fe atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six Fe, and one Sn atom. The Sn–Ho bond length is 3.02 Å. Both Sn–Fe bond lengths are 2.84 Å. The Sn–Sn bond length is 2.92 Å. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six Fe, and one Sn atom. All Sn–Fe bond lengths are 2.83 Å. The Sn–Sn bond length is 2.92 Å. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six Fe, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Ho and six Fe atoms. In the eighth Sn site, Sn is bonded in a 12-coordinate geometry to three Ho and six Fe atoms. In the ninth Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(FeSn)6 by Materials Project

DyFe6Sn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded to twelve Fe and eight Sn atoms to form distorted DyFe12Sn8 hexagonal bipyramids that share corners with four equivalent DyFe12Sn8 hexagonal bipyramids, faces with twenty-four FeDy2Fe4Sn6 cuboctahedra, and faces with four equivalent DyFe12Sn8 hexagonal bipyramids. There are a spread of Dy–Fe bond distances ranging from 3.48–3.51 Å. There are a spread of Dy–Sn bond distances ranging from 3.02–3.19 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Dy, four Fe, and six Sn atoms to form distorted FeDy2Fe4Sn6 cuboctahedra that share corners with fourteen FeDy2Fe4Sn6 cuboctahedra, edges with six FeDy2Fe4Sn6 cuboctahedra, faces with ten FeDy2Fe4Sn6 cuboctahedra, and faces with four equivalent DyFe12Sn8 hexagonal bipyramids. There are two shorter (2.70 Å) and two longer (2.71 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.71–2.82 Å. In the second Fe site, Fe is bonded to two equivalent Dy, four Fe, and six Sn atoms to form distorted FeDy2Fe4Sn6 cuboctahedra that share corners with fourteen FeDy2Fe4Sn6 cuboctahedra, edges with seven FeDy2Fe4Sn6 cuboctahedra, faces with nine FeDy2Fe4Sn6 cuboctahedra, and faces with four equivalent DyFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.71–2.81 Å. In the third Fe site, Fe is bonded to two equivalent Dy, four Fe, and six Sn atoms to form distorted FeDy2Fe4Sn6 cuboctahedra that share corners with fourteen FeDy2Fe4Sn6 cuboctahedra, edges with seven FeDy2Fe4Sn6 cuboctahedra, faces with nine FeDy2Fe4Sn6 cuboctahedra, and faces with four equivalent DyFe12Sn8 hexagonal bipyramids. There are a spread of Fe–Sn bond distances ranging from 2.69–2.82 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Dy and six Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Dy and six Fe atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to one Dy and six Fe atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to one Dy, six Fe, and one Sn atom. The Sn–Sn bond length is 2.91 Å.

36 MATERIALS SCIENCE↗