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Materials Data on La3Sn by Materials Project

La3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All La–Sn bond lengths are 3.57 Å. Sn is bonded to twelve equivalent La atoms to form a mixture of corner and face-sharing SnLa12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on La5Sn4 by Materials Project

La5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.33–4.03 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of La–Sn bond distances ranging from 3.22–3.41 Å. In the third La site, La is bonded to six Sn atoms to form corner-sharing LaSn6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of La–Sn bond distances ranging from 3.31–3.49 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight La and one Sn atom. The Sn–Sn bond length is 3.03 Å. In the second Sn site, Sn is bonded in a 7-coordinate geometry to eight La atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight La and one Sn atom.

36 MATERIALS SCIENCE↗

Materials Data on La5Sn3 by Materials Project

La5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four equivalent Sn atoms. All La–Sn bond lengths are 3.31 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of La–Sn bond distances ranging from 3.35–3.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to ten La atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaSn3 by Materials Project

LaSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing LaSn12 cuboctahedra. All La–Sn bond lengths are 3.41 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms.

36 MATERIALS SCIENCE↗

Materials Data on La3Sn4 by Materials Project

La3Sn4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of La–Sn bond distances ranging from 3.35–3.46 Å. In the second La site, La is bonded in a 5-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.24–3.59 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six La and three Sn atoms. The Sn–Sn bond length is 2.96 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven La and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaSn by Materials Project

LaSn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 5-coordinate geometry to seven equivalent Sn atoms. There are a spread of La–Sn bond distances ranging from 3.33–3.61 Å. Sn is bonded in a 5-coordinate geometry to seven equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.04 Å.

36 MATERIALS SCIENCE↗

Materials Data on LaSn2 by Materials Project

LaSn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.26–3.63 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La 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 4-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗

Materials Data on La2Sn5 by Materials Project

La2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.60 Å. In the second La site, La is bonded to twelve Sn atoms to form a mixture of face and corner-sharing LaSn12 cuboctahedra. There are a spread of La–Sn bond distances ranging from 3.34–3.45 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.12 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.34 Å. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four La and six Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent La and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the sixth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent La atoms.

36 MATERIALS SCIENCE↗

Materials Data on La11Sn10 by Materials Project

La11Sn10 is delta Molybdenum Boride-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to eight Sn atoms. There are four shorter (3.63 Å) and four longer (3.64 Å) La–Sn bond lengths. In the second La site, La is bonded to seven Sn atoms to form a mixture of distorted face and edge-sharing LaSn7 pentagonal bipyramids. There are a spread of La–Sn bond distances ranging from 3.15–3.83 Å. In the third La site, La is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.23–3.76 Å. In the fourth La site, La is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.24–3.47 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight La atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight La atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to eight La and one Sn atom. The Sn–Sn bond length is 3.31 Å. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to eight La and one Sn atom. The Sn–Sn bond length is 2.93 Å.

36 MATERIALS SCIENCE↗

Materials Data on La3Sn5 by Materials Project

La3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of La–Sn bond distances ranging from 3.22–3.67 Å. In the second La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.36–3.60 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five La and four Sn atoms. There are two shorter (3.08 Å) and two longer (3.28 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six La and four Sn atoms. There are two shorter (3.09 Å) and one longer (3.21 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six La and three Sn atoms.

36 MATERIALS SCIENCE↗

Materials Data on La5Sn3 by Materials Project

La5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.43 Å. In the second La site, La is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of La–Sn bond distances ranging from 3.27–3.73 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗

Materials Data on La2Sn3 by Materials Project

La2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of La–Sn bond distances ranging from 3.28–3.82 Å. In the second La site, La is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.32–3.85 Å. In the third La site, La is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of La–Sn bond distances ranging from 3.28–3.67 Å. In the fourth La site, La is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of La–Sn bond distances ranging from 3.20–3.68 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to seven La and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.09–3.39 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven La and two Sn atoms. The Sn–Sn bond length is 2.99 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six La and two Sn atoms. There are one shorter (3.08 Å) and one longer (3.11 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to five La and two equivalent Sn atoms. There are one shorter (2.99 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to five La and two equivalent Sn atoms. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to six La and three Sn atoms.

36 MATERIALS SCIENCE↗

Materials Data on La3Sn7 by Materials Project

La3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.59 Å. In the second La site, La is bonded to twelve Sn atoms to form a mixture of corner and face-sharing LaSn12 cuboctahedra. There are a spread of La–Sn bond distances ranging from 3.31–3.45 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four La atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four La atoms. In the fourth Sn site, Sn is bonded in a square co-planar geometry to four equivalent La atoms.

36 MATERIALS SCIENCE↗