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At least 1,765 records · Page 98
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DOE OSTI2020

Materials Data on Fe3Sn2 by Materials Project

Fe3Sn2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe is bonded in a 11-coordinate geometry to six equivalent Fe and five Sn atoms. There are a spread of Fe–Fe bond distances ranging from 2.55–2.78 Å. There are a spread of Fe–Sn bond distances ranging from 2.67–2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to nine 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 Sn4OF6 by Materials Project

Sn4OF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.13–2.42 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.14–2.60 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.11–2.32 Å. O2- is bonded in a trigonal planar geometry to three Sn2+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn4B3Ir7 by Materials Project

Ir7B3Sn4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to two equivalent B and four Sn atoms. Both Ir–B bond lengths are 2.16 Å. There are a spread of Ir–Sn bond distances ranging from 2.73–2.95 Å. In the second Ir site, Ir is bonded to six equivalent B atoms to form face-sharing IrB6 octahedra. All Ir–B bond lengths are 2.31 Å. B is bonded to six Ir atoms to form a mixture of distorted edge and corner-sharing BIr6 pentagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSnRh by Materials Project

HfRhSn crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are a spread of Hf–Rh bond distances ranging from 2.83–2.99 Å. There are a spread of Hf–Sn bond distances ranging from 3.05–3.23 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.74 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Hf and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrCoSn by Materials Project

ZrCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Co and six equivalent Sn atoms. There are four shorter (2.84 Å) and one longer (2.85 Å) Zr–Co bond lengths. There are two shorter (3.01 Å) and four longer (3.09 Å) Zr–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Co–Sn bond lengths are 2.62 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Co–Sn bond lengths are 2.66 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2CuSn by Materials Project

Li2CuSn is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu and six equivalent Sn atoms to form distorted LiCu4Sn6 tetrahedra that share corners with six equivalent LiCu4Sn6 tetrahedra, edges with twelve equivalent LiCu6Sn4 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 2.72 Å. All Li–Sn bond lengths are 3.15 Å. In the second Li site, Li is bonded to six equivalent Cu and four equivalent Sn atoms to form distorted LiCu6Sn4 tetrahedra that share corners with six equivalent LiCu6Sn4 tetrahedra, edges with twelve equivalent LiCu4Sn6 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 3.15 Å. All Li–Sn bond lengths are 2.72 Å. Cu is bonded in a 4-coordinate geometry to ten Li and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.72 Å. Sn is bonded in a 4-coordinate geometry to ten Li and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSnPt by Materials Project

HoPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. All Ho–Pt bond lengths are 3.04 Å. There are two shorter (3.22 Å) and four longer (3.34 Å) Ho–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li5Sn2 by Materials Project

Li5Sn2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Li5Sn2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight Li and six equivalent Sn atoms. There are six shorter (2.88 Å) and two longer (2.90 Å) Li–Li bond lengths. All Li–Sn bond lengths are 3.29 Å. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Li and three equivalent Sn atoms. All Li–Sn bond lengths are 2.92 Å. In the third Li site, Li is bonded to three equivalent Li and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing LiLi3Sn4 tetrahedra. There are one shorter (2.77 Å) and three longer (2.87 Å) Li–Sn bond lengths. Sn is bonded in a 7-coordinate geometry to ten Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Pt2 by Materials Project

Pt2Sn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt is bonded in a distorted body-centered cubic geometry to one Pt and seven Sn atoms. The Pt–Pt bond length is 2.82 Å. There are a spread of Pt–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Pt atoms to form a mixture of distorted edge and corner-sharing SnPt4 tetrahedra. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2SnAu2 by Materials Project

Er2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (3.00 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.44 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.92 Å) and four longer (3.07 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.51 Å. Au is bonded in a 8-coordinate geometry to six Er and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.12 Å. Sn is bonded to eight Er and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnEr8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnRh by Materials Project

ErRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.98 Å) and one longer (3.07 Å) Er–Rh bond lengths. There are two shorter (3.14 Å) and four longer (3.29 Å) Er–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnPd by Materials Project

YbPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.03 Å) and one longer (3.13 Å) Yb–Pd bond lengths. There are two shorter (3.18 Å) and four longer (3.34 Å) Yb–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Ni2Sn by Materials Project

Zr2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.68 Å) and two longer (2.74 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.12 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.66 Å) and four longer (2.80 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.19 Å. Ni is bonded in a 6-coordinate geometry to six Zr and two equivalent Sn atoms. Both Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight Zr and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Ni2Sn by Materials Project

Hf2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.65 Å) and two longer (2.73 Å) Hf–Ni bond lengths. All Hf–Sn bond lengths are 3.10 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.65 Å) and four longer (2.76 Å) Hf–Ni bond lengths. All Hf–Sn bond lengths are 3.17 Å. Ni is bonded in a 6-coordinate geometry to six Hf and two equivalent Sn atoms. Both Ni–Sn bond lengths are 2.80 Å. Sn is bonded to eight Hf and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing SnHf8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmZnSn by Materials Project

SmZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six equivalent Sn atoms to form edge-sharing SmSn6 octahedra. All Sm–Sn bond lengths are 3.23 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Sm–Zn bond lengths are 3.02 Å. All Sm–Sn bond lengths are 3.43 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Sm and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.72 Å. Sn is bonded in a 6-coordinate geometry to six Sm and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSnRh by Materials Project

NdRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.08 Å) and one longer (3.10 Å) Nd–Rh bond lengths. There are two shorter (3.28 Å) and four longer (3.42 Å) Nd–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.81 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.87 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Nd and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr11Ga4Sn3 by Materials Project

Sr11Ga4Sn3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to three equivalent Ga and three equivalent Sn atoms. All Sr–Ga bond lengths are 3.41 Å. All Sr–Sn bond lengths are 3.53 Å. In the second Sr site, Sr is bonded in a distorted square co-planar geometry to one Sr, two equivalent Ga, and two equivalent Sn atoms. The Sr–Sr bond length is 4.10 Å. Both Sr–Ga bond lengths are 3.42 Å. Both Sr–Sn bond lengths are 3.52 Å. In the third Sr site, Sr is bonded in a cuboctahedral geometry to twelve equivalent Sr atoms. In the fourth Sr site, Sr is bonded in an octahedral geometry to six equivalent Sn atoms. All Sr–Sn bond lengths are 3.75 Å. Ga is bonded in a 9-coordinate geometry to six Sr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.76 Å. Sn is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaSn2 by Materials Project

TaSn2 is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to two equivalent Ta and eight Sn atoms. Both Ta–Ta bond lengths are 2.86 Å. There are a spread of Ta–Sn bond distances ranging from 2.89–2.99 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ta atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ta atoms.

36 MATERIALS SCIENCE↗