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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaCuSn by Materials Project

LaCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing LaCu6Sn6 cuboctahedra. All La–Cu bond lengths are 3.36 Å. All La–Sn bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.66 Å. Sn is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(CuSn)2 by Materials Project

Cu2LaSn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.40 Å) and four longer (3.48 Å) La–Cu bond lengths. There are four shorter (3.43 Å) and four longer (3.57 Å) La–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent La and five Sn atoms. There are one shorter (2.55 Å) and four longer (2.67 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent La and five Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCu5Sn by Materials Project

LaCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of La–Cu bond distances ranging from 2.96–3.41 Å. There are a spread of La–Sn bond distances ranging from 3.33–3.43 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent La, seven Cu, and two equivalent Sn atoms to form a mixture of edge, face, and corner-sharing CuLa3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.61 Å. Both Cu–Sn bond lengths are 2.85 Å. In the second Cu site, Cu is bonded to three equivalent La, seven Cu, and two equivalent Sn atoms to form a mixture of edge, face, and corner-sharing CuLa3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.56 Å. There are one shorter (2.82 Å) and one longer (2.85 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La, six Cu, and one Sn atom. The Cu–Cu bond length is 3.12 Å. The Cu–Sn bond length is 2.82 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to three equivalent La, five Cu, and three equivalent Sn atoms. There are one shorter (2.70 Å) and two longer (3.08 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent La and ten Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCu9Sn4 by Materials Project

LaCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.58 Å) and eight longer (3.80 Å) La–Cu bond lengths. All La–Sn bond lengths are 3.56 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 1-coordinate geometry to two equivalent La, seven Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.14 Å. There are two shorter (2.82 Å) and two longer (2.86 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.51 Å. All Cu–Sn bond lengths are 2.62 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent La, eight Cu, and two equivalent Sn atoms. There are two shorter (2.53 Å) and one longer (2.74 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.70 Å. Sn is bonded in a 12-coordinate geometry to two equivalent La, seven Cu, and three equivalent Sn atoms. There are two shorter (2.87 Å) and one longer (3.00 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗