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Materials Data on YSn3 by Materials Project

YSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Sn atoms to form a mixture of face and corner-sharing YSn12 cuboctahedra. All Y–Sn bond lengths are 3.34 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on YSn2 by Materials Project

YSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Y and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗

Materials Data on Y5Sn3 by Materials Project

Sn3Y5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.09–3.57 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Y–Sn bond lengths are 3.22 Å. Sn is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on YSn by Materials Project

SnY is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Y–Sn bond lengths are 3.29 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on Y3Sn by Materials Project

Y3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to eight Y and four equivalent Sn atoms to form distorted YY8Sn4 cuboctahedra that share corners with twelve equivalent YY8Sn4 cuboctahedra, edges with eight equivalent YY8Sn4 cuboctahedra, edges with eight equivalent SnY12 cuboctahedra, faces with four equivalent SnY12 cuboctahedra, and faces with ten equivalent YY8Sn4 cuboctahedra. There are four shorter (3.31 Å) and four longer (3.52 Å) Y–Y bond lengths. All Y–Sn bond lengths are 3.52 Å. In the second Y site, Y is bonded in a square co-planar geometry to eight equivalent Y and four equivalent Sn atoms. All Y–Sn bond lengths are 3.31 Å. Sn is bonded to twelve Y atoms to form SnY12 cuboctahedra that share corners with four equivalent SnY12 cuboctahedra, edges with eight equivalent SnY12 cuboctahedra, edges with sixteen equivalent YY8Sn4 cuboctahedra, faces with four equivalent SnY12 cuboctahedra, and faces with eight equivalent YY8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗

Materials Data on Y3Sn by Materials Project

Y3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to eight equivalent Y and six equivalent Sn atoms. All Y–Y bond lengths are 3.33 Å. All Y–Sn bond lengths are 3.85 Å. In the second Y site, Y is bonded to four equivalent Y and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing YY4Sn4 tetrahedra. All Y–Sn bond lengths are 3.33 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on YSn3 by Materials Project

YSn3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Sn atoms to form YSn12 cuboctahedra that share corners with four equivalent YSn12 cuboctahedra, corners with two equivalent SnY4Sn square pyramids, and faces with four equivalent YSn12 cuboctahedra. There are a spread of Y–Sn bond distances ranging from 3.15–3.48 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.17–3.37 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.14 Å. In the second Sn site, Sn is bonded to four equivalent Y and one Sn atom to form distorted SnY4Sn square pyramids that share corners with two equivalent YSn12 cuboctahedra, corners with four equivalent SnY4Sn square pyramids, and edges with four equivalent SnY4Sn square pyramids. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Y and seven Sn atoms. There are four shorter (3.14 Å) and two longer (3.29 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent Y and four Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to three Y and six Sn atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Y and four equivalent Sn atoms.

36 MATERIALS SCIENCE↗