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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Eu3(Cu2Sn)4 by Materials Project

Eu3Cu8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to eight Cu and six Sn atoms. There are a spread of Eu–Cu bond distances ranging from 3.22–3.59 Å. There are a spread of Eu–Sn bond distances ranging from 3.30–3.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Eu, seven Cu, and three equivalent Sn atoms to form distorted CuEu2Cu7Sn3 cuboctahedra that share corners with four equivalent CuEu2Cu7Sn3 cuboctahedra, corners with five equivalent SnEu4Cu8 cuboctahedra, faces with six equivalent SnEu4Cu8 cuboctahedra, and faces with eight CuEu2Cu7Sn3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.77 Å. There are one shorter (2.70 Å) and two longer (2.75 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded to nine Cu and three equivalent Sn atoms to form CuCu9Sn3 cuboctahedra that share corners with three equivalent SnEu4Cu8 cuboctahedra, faces with six equivalent SnEu4Cu8 cuboctahedra, and faces with eight CuEu2Cu7Sn3 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. All Cu–Sn bond lengths are 2.74 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six equivalent Eu and four Sn atoms. There are three shorter (2.66 Å) and one longer (2.78 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Eu, four Cu, and four Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.73–2.96 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Eu and eight Cu atoms to form distorted SnEu4Cu8 cuboctahedra that share corners with four equivalent SnEu4Cu8 cuboctahedra, corners with six CuEu2Cu7Sn3 cuboctahedra, faces with eight CuEu2Cu7Sn3 cuboctahedra, and faces with eight equivalent SnEu4Cu8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuCu9Sn4 by Materials Project

EuCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.60 Å) and eight longer (3.65 Å) Eu–Cu bond lengths. All Eu–Sn bond lengths are 3.52 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Eu, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.54–2.76 Å. There are a spread of Cu–Sn bond distances ranging from 2.60–2.70 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Eu, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.56–2.99 Å. There are two shorter (2.75 Å) and two longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.77 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Eu and nine Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(Cu2Sn)2 by Materials Project

EuCu4Sn2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Cu atoms. All Eu–Cu bond lengths are 3.77 Å. Cu is bonded in a 9-coordinate geometry to two equivalent Eu, three equivalent Cu, and four equivalent Sn atoms. There are one shorter (3.05 Å) and two longer (3.08 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 3.11–3.22 Å. Sn is bonded in a 8-coordinate geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuCuSn by Materials Project

EuCuSn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are a spread of Eu–Cu bond distances ranging from 3.14–3.63 Å. There are a spread of Eu–Sn bond distances ranging from 3.27–3.49 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Eu, one Cu, and three equivalent Sn atoms. The Cu–Cu bond length is 2.66 Å. There are two shorter (2.69 Å) and one longer (2.92 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Eu, three equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.98 Å.

36 MATERIALS SCIENCE↗