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At least 1,423 records · Page 79
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DOE OSTI2020

Materials Data on Sn3Ge by Materials Project

Sn3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Sn and four equivalent Ge atoms. All Sn–Sn bond lengths are 3.21 Å. All Sn–Ge bond lengths are 3.21 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.

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Materials Data on U(CuSn)2 by Materials Project

UCu2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.35 Å) and four longer (3.38 Å) U–Cu bond lengths. There are four shorter (3.32 Å) and four longer (3.50 Å) U–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent U and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.59 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent U and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.61 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent U and five Cu atoms.

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Materials Data on YCu5Sn by Materials Project

YCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Y–Cu bond distances ranging from 2.89–3.38 Å. There are two shorter (3.27 Å) and two longer (3.39 Å) Y–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Y, seven Cu, and two equivalent Sn atoms to form a mixture of edge, corner, and face-sharing CuY3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.49–2.58 Å. Both Cu–Sn bond lengths are 2.80 Å. In the second Cu site, Cu is bonded to three equivalent Y, seven Cu, and two equivalent Sn atoms to form a mixture of edge, corner, and face-sharing CuY3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.49–2.55 Å. There are one shorter (2.76 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Y, six Cu, and one Sn atom. The Cu–Cu bond length is 3.04 Å. The Cu–Sn bond length is 2.77 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Y, five Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.01 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Y and ten Cu atoms.

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Materials Data on Ce(CuSn)2 by Materials Project

CeCu2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.36 Å) and four longer (3.44 Å) Ce–Cu bond lengths. There are four shorter (3.37 Å) and four longer (3.56 Å) Ce–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Ce and five Sn atoms. There are one shorter (2.52 Å) and four longer (2.65 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ce and five Cu atoms.

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Materials Data on TbCu5Sn by Materials Project

TbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Tb–Sn bond distances ranging from 3.28–3.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.59 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.56 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb, five Cu, and one Sn atom. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Tb, four Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.02 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Tb and ten Cu atoms.

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Materials Data on YSn3 by Materials Project

YSn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a distorted body-centered cubic geometry to fourteen Sn atoms. There are eight shorter (3.31 Å) and six longer (3.82 Å) Y–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Y and eight equivalent Sn atoms. All Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded in a distorted body-centered cubic geometry to four equivalent Y and four equivalent Sn atoms.

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Materials Data on Er6Co2Sn by Materials Project

Er6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.73 Å) and two longer (2.83 Å) Er–Co bond lengths. The Er–Sn bond length is 3.39 Å. In the second Er site, Er is bonded in a distorted rectangular see-saw-like geometry to two Co and two Sn atoms. There are one shorter (2.78 Å) and one longer (3.11 Å) Er–Co bond lengths. There are one shorter (3.06 Å) and one longer (3.33 Å) Er–Sn bond lengths. In the third Er site, Er is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.89 Å) and one longer (3.26 Å) Er–Co bond lengths. There are one shorter (3.21 Å) and one longer (3.58 Å) Er–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.21 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.25 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Er atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Er atoms.

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Materials Data on MgSn3 by Materials Project

MgSn3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Sn atoms to form distorted MgSn6 cuboctahedra that share corners with twelve equivalent SnSn12 cuboctahedra, edges with six equivalent MgSn6 cuboctahedra, and faces with two equivalent SnSn12 cuboctahedra. All Mg–Sn bond lengths are 3.19 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to twelve Sn atoms to form SnSn12 cuboctahedra that share corners with six equivalent SnSn12 cuboctahedra, corners with twelve equivalent MgSn6 cuboctahedra, edges with six equivalent SnSn12 cuboctahedra, faces with two equivalent MgSn6 cuboctahedra, and faces with six equivalent SnSn12 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.48 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Sn atoms.

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Materials Data on LaCeSn6 by Materials Project

CeLaSn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Sn atoms to form CeSn12 cuboctahedra that share corners with four equivalent CeSn12 cuboctahedra, corners with eight equivalent LaSn12 cuboctahedra, faces with two equivalent LaSn12 cuboctahedra, and faces with four equivalent CeSn12 cuboctahedra. There are eight shorter (3.35 Å) and four longer (3.37 Å) Ce–Sn bond lengths. La is bonded to twelve Sn atoms to form LaSn12 cuboctahedra that share corners with four equivalent LaSn12 cuboctahedra, corners with eight equivalent CeSn12 cuboctahedra, faces with two equivalent CeSn12 cuboctahedra, and faces with four equivalent LaSn12 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.40 Å) La–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce and two equivalent La atoms.

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Materials Data on K2Mg5Sn3 by Materials Project

K2Mg5Sn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to four equivalent Mg and five equivalent Sn atoms. All K–Mg bond lengths are 3.79 Å. There are one shorter (3.77 Å) and four longer (3.79 Å) K–Sn bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K, two equivalent Mg, and four Sn atoms to form a mixture of distorted face, edge, and corner-sharing MgK2Mg2Sn4 tetrahedra. Both Mg–Mg bond lengths are 3.12 Å. There are two shorter (2.91 Å) and two longer (3.12 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight equivalent Mg and six Sn atoms. There are two shorter (3.35 Å) and four longer (3.53 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to twelve Mg atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to five equivalent K and five Mg atoms.

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Materials Data on Sr(ZnSn)2 by Materials Project

SrZn2Sn2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 4-coordinate geometry to eight Zn and eight Sn atoms. There are a spread of Sr–Zn bond distances ranging from 3.53–3.78 Å. There are a spread of Sr–Sn bond distances ranging from 3.51–3.77 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Sr and five Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.65–2.85 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.75–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr and five Zn atoms. In the second Sn site, Sn is bonded to four equivalent Sr and four equivalent Zn atoms to form a mixture of distorted edge and face-sharing SnSr4Zn4 tetrahedra.

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Materials Data on Ce(SnRh)2 by Materials Project

Ce(RhSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Rh and eight Sn atoms. There are four shorter (3.45 Å) and four longer (3.48 Å) Ce–Rh bond lengths. There are four shorter (3.44 Å) and four longer (3.53 Å) Ce–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.64 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Ce and five Sn atoms. There are one shorter (2.57 Å) and four longer (2.67 Å) Rh–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Ce and four equivalent Rh atoms to form a mixture of distorted face and edge-sharing SnCe4Rh4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.

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Materials Data on Lu6Co2Sn by Materials Project

Lu6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two Co and two Sn atoms. There are one shorter (2.70 Å) and one longer (3.07 Å) Lu–Co bond lengths. There are one shorter (3.03 Å) and one longer (3.24 Å) Lu–Sn bond lengths. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.85 Å) and one longer (3.11 Å) Lu–Co bond lengths. There are one shorter (3.14 Å) and one longer (3.55 Å) Lu–Sn bond lengths. In the third Lu site, Lu is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.67 Å) and two longer (2.80 Å) Lu–Co bond lengths. The Lu–Sn bond length is 3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Lu and one Co atom. The Co–Co bond length is 2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Lu and one Co atom. The Co–Co bond length is 2.23 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Lu atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Lu atoms.

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DOE OSTI2020

Materials Data on DyCu5Sn by Materials Project

DyCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Dy–Cu bond distances ranging from 2.88–3.39 Å. There are two shorter (3.28 Å) and two longer (3.40 Å) Dy–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Dy, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuDy3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.49–2.58 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Dy, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuDy3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.48–2.56 Å. There are one shorter (2.76 Å) and one longer (2.78 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and one Sn atom. The Cu–Cu bond length is 3.04 Å. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Dy, five Cu, and three equivalent Sn atoms. There are one shorter (2.63 Å) and two longer (3.01 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Dy and ten Cu atoms.

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Materials Data on La21Mn8Sn7C12 by Materials Project

La21Mn8Sn7C12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted L-shaped geometry to three Sn and two equivalent C atoms. There are two shorter (3.44 Å) and one longer (3.97 Å) La–Sn bond lengths. Both La–C bond lengths are 2.59 Å. In the second La site, La is bonded to three equivalent Sn and three equivalent C atoms to form distorted LaSn3C3 octahedra that share corners with six equivalent LaSn3C3 octahedra, edges with three equivalent LaSn3C3 octahedra, and a faceface with one LaSn6 octahedra. The corner-sharing octahedra tilt angles range from 18–44°. All La–Sn bond lengths are 3.38 Å. All La–C bond lengths are 2.74 Å. In the third La site, La is bonded to six equivalent Sn atoms to form face-sharing LaSn6 octahedra. All La–Sn bond lengths are 3.47 Å. Mn is bonded in a trigonal planar geometry to three equivalent C atoms. All Mn–C bond lengths are 1.92 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine La atoms. In the second Sn site, Sn is bonded to twelve equivalent La atoms to form SnLa12 cuboctahedra that share corners with twenty-four equivalent CLa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 44°. C is bonded to four La and two equivalent Mn atoms to form distorted CLa4Mn2 octahedra that share corners with two equivalent SnLa12 cuboctahedra and edges with five equivalent CLa4Mn2 octahedra.

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Materials Data on Sn3Bi by Materials Project

BiSn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Sn–Sn bond lengths are 3.33 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Sn and four equivalent Bi atoms. All Sn–Bi bond lengths are 3.33 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.

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Materials Data on Sn3Pb by Materials Project

PbSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to twelve Sn atoms to form a mixture of face and corner-sharing PbSn12 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.53 Å) Pb–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pb and eight Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.32–3.49 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pb and eight equivalent Sn atoms.

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Materials Data on Sn3Se by Materials Project

Sn3Se is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Sn–Sn bond lengths are 3.23 Å. All Sn–Se bond lengths are 3.23 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. Se is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.

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