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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

MnSn 2 and MnSn 2 –TiO 2 nanostructured anode materials for lithium-ion batteries

The high theoretical lithium storage capacity of Sn makes it an enticing anode material for Li-ion batteries (LIBs); however, its large volumetric expansion during Li–Sn alloying must be addressed. Combining Sn with metals that are electrochemically inactive to lithium leads to intermetallics that can alleviate volumetric expansion issues and still enable high capacity. Here, we present the cycling behavior of a nanostructured MnSn 2 intermetallic used in LIBs. Nanostructured MnSn 2 is synthesized by reducing Sn and Mn salts using a hot injection method. The resulting MnSn 2 is characterized by x-ray diffraction and transmission electron microscopy and then is investigated as an anode for LIBs. The MnSn 2 electrode delivers a stable capacity of 514 mAh g -1 after 100 cycles at a C/10 current rate with a Coulombic efficiency >99%. Unlike other Sn-intermetallic anodes, an activation overpotential peak near 0.9 V versus Li is present from the second lithiation and in subsequent cycles. We hypothesize that this effect is likely due to electrolyte reactions with segregated Mn from MnSn 2 . To prevent these undesirable Mn reactions with the electrolyte, a 5 nm TiO 2 protection layer is applied onto the MnSn 2 electrode surface via atomic layer deposition. The TiO 2 -coated MnSn 2 electrodes do not exhibit the activation overpotential peak. The protection layer also increases the capacity to 612 mAh g -1 after 100 cycles at a C/10 current rate with a Coulombic efficiency >99%. This higher capacity is achieved by suppressing the parasitic reaction of Mn with the electrolyte, as is supported by x-ray photoelectron spectroscopy analysis.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Magnetism and topological Hall effect in antiferromagnetic Ru 2 MnSn-based Heusler compounds

Heusler compounds and alloys based on them are of great recent interest because they exhibit a wide variety of spin structures, magnetic properties, and electron-transport phenomena. Their properties are tunable by alloying and we have investigated L2 1 -orderd compound Ru 2 MnSn and its alloys by varying the atomic Mn:Sn composition. While antiferromagnetic ordering with a Néel temperature of 361 K was observed in Ru 2 MnSn, the Mn-poor Ru 2 Mn 0.8 Sn 1.2 alloy exhibits properties of a diluted antiferromagnet in which there are localized regions of uncompensated Mn spins. Furthermore, a noncoplanar spin structure, evident from a topological Hall-effect contribution to the room-temperature Hall resistivity, is realized in Ru 2 Mn 0.8 Sn 1.2 . Finally, our combined experimental and theoretical analysis shows that in the Ru 2 Mn 0.8 Sn 1.2 alloy, the magnetic properties can be explained in terms of a noncoplanar antiferromagnetic scissor mode, which creates a small net magnetization in a magnetic field and subsequently yields a Berry curvature with a strong topological Hall effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(MnSn)2 by Materials Project

Ba(MnSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mn and eight equivalent Sn atoms. All Ba–Mn bond lengths are 3.82 Å. All Ba–Sn bond lengths are 3.70 Å. Mn is bonded to four equivalent Ba and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing MnBa4Sn4 tetrahedra. All Mn–Sn bond lengths are 2.75 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(MnSn)6 by Materials Project

Nd(MnSn)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the second Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the third Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.03–3.21 Å. There are eighteen inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.85 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.87 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the tenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.86 Å. In the eleventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the twelfth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the thirteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the fourteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the fifteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the seventeenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.87 Å. In the eighteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. There are eighteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the tenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the eleventh Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the twelfth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the thirteenth Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the sixteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the eighteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf(MnSn)6 by Materials Project

Hf(MnSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Sn atoms to form distorted edge-sharing HfSn8 hexagonal bipyramids. There are two shorter (2.93 Å) and six longer (3.12 Å) Hf–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.79 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Hf and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSn(PO4)2 by Materials Project

MnSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four equivalent SnO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Mn–O bond distances ranging from 2.08–2.34 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Sn–O bond distances ranging from 2.04–2.16 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra, corners with three equivalent MnO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–57°. There are a spread of P–O bond distances ranging from 1.50–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra, corners with three equivalent SnO6 octahedra, and an edgeedge with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+, one Sn4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Sn4+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSn by Materials Project

MnSn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Mn–Sn bond lengths are 2.88 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSn by Materials Project

MnSn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Sn atoms to form corner-sharing MnSn4 tetrahedra. All Mn–Sn bond lengths are 2.66 Å. Sn is bonded to four equivalent Mn atoms to form corner-sharing SnMn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSn by Materials Project

MnSn is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded to six equivalent Sn atoms to form a mixture of edge and corner-sharing MnSn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Sn bond lengths are 2.75 Å. Sn is bonded to six equivalent Mn atoms to form a mixture of edge and corner-sharing SnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(MnSn)6 by Materials Project

Pr(MnSn)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Sn atoms to form distorted edge-sharing PrSn8 hexagonal bipyramids. There are a spread of Pr–Sn bond distances ranging from 3.08–3.23 Å. In the second Pr site, Pr is bonded to eight Sn atoms to form distorted edge-sharing PrSn8 hexagonal bipyramids. There are a spread of Pr–Sn bond distances ranging from 3.07–3.21 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are four shorter (2.79 Å) and two longer (2.87 Å) Mn–Sn bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.77–2.87 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.77–2.87 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Pr and six Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Pr and six Mn atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Pr and six Mn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to one Pr and six Mn atoms. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Sn bond length is 3.02 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Pr bond length is 3.07 Å. All Sn–Mn bond lengths are 2.87 Å. The Sn–Sn bond length is 3.02 Å. In the ninth Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Sn bond length is 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc(MnSn)6 by Materials Project

ScMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Sn atoms to form distorted edge-sharing ScSn8 hexagonal bipyramids. There are two shorter (2.93 Å) and six longer (3.12 Å) Sc–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to one Sc and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(MnSn)6 by Materials Project

HoMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to eight Sn atoms to form distorted edge-sharing HoSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Ho–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(MnSn)6 by Materials Project

TbMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Sn atoms to form distorted edge-sharing TbSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Tb–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(MnSn)6 by Materials Project

YMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Sn atoms to form distorted edge-sharing YSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Y–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.84 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Y, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(MnSn)6 by Materials Project

TmMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to eight Sn atoms to form distorted edge-sharing TmSn8 hexagonal bipyramids. There are two shorter (2.99 Å) and six longer (3.14 Å) Tm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr(MnSn)6 by Materials Project

ZrMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Sn atoms to form distorted edge-sharing ZrSn8 hexagonal bipyramids. There are two shorter (2.94 Å) and six longer (3.12 Å) Zr–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Zr and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(MnSn)6 by Materials Project

DyMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to eight Sn atoms to form distorted edge-sharing DySn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Dy–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Dy, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(MnSn)6 by Materials Project

SmMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to eight Sn atoms to form distorted edge-sharing SmSn8 hexagonal bipyramids. There are two shorter (3.03 Å) and six longer (3.16 Å) Sm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.84 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å.

36 MATERIALS SCIENCE↗