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Materials Data on YbSn3 by Materials Project

YbSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Sn atoms to form a mixture of face and corner-sharing YbSn12 cuboctahedra. All Yb–Sn bond lengths are 3.35 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbSn by Materials Project

YbSn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Sn atoms. All Yb–Sn bond lengths are 3.34 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb2Sn by Materials Project

Yb2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to eight Yb and six equivalent Sn atoms. There are two shorter (3.53 Å) and six longer (3.57 Å) Yb–Yb bond lengths. All Yb–Sn bond lengths are 3.57 Å. In the second Yb site, Yb is bonded to six equivalent Yb and five equivalent Sn atoms to form a mixture of distorted face and corner-sharing YbYb6Sn5 trigonal bipyramids. There are three shorter (3.10 Å) and two longer (3.53 Å) Yb–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eleven Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Sn3 by Materials Project

Yb5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Yb–Sn bond lengths are 3.34 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are three shorter (3.21 Å) and two longer (3.52 Å) Yb–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Sn3 by Materials Project

Yb5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted square co-planar geometry to six Sn atoms. There are four shorter (3.21 Å) and two longer (3.82 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded to five Sn atoms to form a mixture of distorted corner, edge, and face-sharing YbSn5 trigonal bipyramids. There are a spread of Yb–Sn bond distances ranging from 3.17–3.42 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to ten Yb atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom. The Sn–Sn bond length is 2.90 Å.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Sn4 by Materials Project

Yb5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.15–3.40 Å. In the second Yb site, Yb is bonded to seven Sn atoms to form distorted YbSn7 pentagonal bipyramids that share corners with four equivalent YbSn6 octahedra, corners with six equivalent YbSn7 pentagonal bipyramids, edges with two equivalent YbSn7 pentagonal bipyramids, faces with two equivalent YbSn6 octahedra, and faces with three equivalent YbSn7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of Yb–Sn bond distances ranging from 3.33–3.65 Å. In the third Yb site, Yb is bonded to six Sn atoms to form distorted YbSn6 octahedra that share corners with four equivalent YbSn6 octahedra, corners with eight equivalent YbSn7 pentagonal bipyramids, and faces with four equivalent YbSn7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Yb–Sn bond distances ranging from 3.13–3.53 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom. The Sn–Sn bond length is 2.89 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom. The Sn–Sn bond length is 3.11 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Sn5 by Materials Project

Yb3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.15–3.54 Å. In the second Yb site, Yb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.28–3.53 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to six Yb and three Sn atoms. There are two shorter (3.06 Å) and one longer (3.09 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Yb and four Sn atoms. There are one shorter (3.20 Å) and one longer (3.36 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 5-coordinate geometry to five Yb and four Sn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb36Sn23 by Materials Project

Yb36Sn23 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are eight inequivalent Yb sites. In the first Yb site, Yb is bonded to six Sn atoms to form distorted YbSn6 octahedra that share an edgeedge with one YbSn6 octahedra and an edgeedge with one YbSn4 tetrahedra. There are a spread of Yb–Sn bond distances ranging from 3.35–3.47 Å. In the second Yb site, Yb is bonded to four Sn atoms to form YbSn4 tetrahedra that share an edgeedge with one YbSn6 octahedra and an edgeedge with one YbSn4 tetrahedra. There are two shorter (3.21 Å) and two longer (3.23 Å) Yb–Sn bond lengths. In the third Yb site, Yb is bonded to four Sn atoms to form distorted edge-sharing YbSn4 tetrahedra. There are two shorter (3.12 Å) and two longer (3.19 Å) Yb–Sn bond lengths. In the fourth Yb site, Yb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.14–3.38 Å. In the fifth Yb site, Yb is bonded in a 4-coordinate geometry to four Sn atoms. There are two shorter (3.15 Å) and two longer (3.31 Å) Yb–Sn bond lengths. In the sixth Yb site, Yb is bonded in a 4-coordinate geometry to six Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.22–3.83 Å. In the seventh Yb site, Yb is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.21–3.58 Å. In the eighth Yb site, Yb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.21–3.57 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom. The Sn–Sn bond length is 3.12 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb atoms. In the third Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to eight Yb atoms. In the fifth Sn site, Sn is bonded in a 10-coordinate geometry to ten Yb atoms. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to ten Yb atoms. In the seventh Sn site, Sn is bonded in a 10-coordinate geometry to eight Yb atoms. In the eighth Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom. The Sn–Sn bond length is 3.04 Å. In the ninth Sn site, Sn is bonded in a 9-coordinate geometry to eight Yb and one Sn atom.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Sn by Materials Project

Yb3Sn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a distorted see-saw-like geometry to four equivalent Sn atoms. There are two shorter (3.41 Å) and two longer (3.52 Å) Yb–Sn bond lengths. Sn is bonded to twelve equivalent Yb atoms to form a mixture of face and corner-sharing SnYb12 cuboctahedra.

36 MATERIALS SCIENCE↗