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Materials Data on SrCuSn2 by Materials Project

SrCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Cu and ten Sn atoms. All Sr–Cu bond lengths are 3.51 Å. There are a spread of Sr–Sn bond distances ranging from 3.50–3.76 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sr and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.58–2.75 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Sr and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Sr, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.85 Å.

36 MATERIALS SCIENCE↗

Materials Data on Sr(Cu2Sn)2 by Materials Project

SrCu4Sn2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Sn atoms. All Sr–Cu bond lengths are 3.27 Å. All Sr–Sn bond lengths are 3.65 Å. Cu is bonded in a 9-coordinate geometry to two equivalent Sr, three equivalent Cu, and four equivalent Sn atoms. There are one shorter (2.52 Å) and two longer (2.63 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.67–2.75 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Sr and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on SrCu9Sn4 by Materials Project

SrCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.64 Å) and eight longer (3.66 Å) Sr–Cu bond lengths. All Sr–Sn bond lengths are 3.55 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Sr, six Cu, and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing CuSr2Cu6Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.78 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.71 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Sr, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.59–2.97 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of face and corner-sharing CuCu8Sn4 cuboctahedra. All Cu–Sn bond lengths are 2.76 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Sr and nine Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr3(Cu2Sn)4 by Materials Project

Sr3Cu8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Cu and six Sn atoms. There are a spread of Sr–Cu bond distances ranging from 3.28–3.67 Å. There are a spread of Sr–Sn bond distances ranging from 3.37–3.46 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Sr, four Cu, and four Sn atoms. There are two shorter (2.65 Å) and two longer (2.75 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.80–3.02 Å. In the second Cu site, Cu is bonded to two equivalent Sr, seven Cu, and three equivalent Sn atoms to form distorted CuSr2Cu7Sn3 cuboctahedra that share corners with four equivalent CuSr2Cu7Sn3 cuboctahedra, corners with five equivalent SnSr4Cu8 cuboctahedra, faces with six equivalent SnSr4Cu8 cuboctahedra, and faces with eight CuSr2Cu7Sn3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.76 Å. There are one shorter (2.74 Å) and two longer (2.77 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a distorted q6 geometry to six equivalent Sr and four Sn atoms. There are three shorter (2.75 Å) and one longer (2.76 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded to nine Cu and three equivalent Sn atoms to form CuCu9Sn3 cuboctahedra that share corners with three equivalent SnSr4Cu8 cuboctahedra, faces with six equivalent SnSr4Cu8 cuboctahedra, and faces with eight CuSr2Cu7Sn3 cuboctahedra. All Cu–Sn bond lengths are 2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sr and eight Cu atoms to form distorted SnSr4Cu8 cuboctahedra that share corners with four equivalent SnSr4Cu8 cuboctahedra, corners with six CuSr2Cu7Sn3 cuboctahedra, faces with eight CuSr2Cu7Sn3 cuboctahedra, and faces with eight equivalent SnSr4Cu8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Sr and four Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr(CuSn)2 by Materials Project

SrCu2Sn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to six equivalent Cu and eight equivalent Sn atoms. There are two shorter (3.22 Å) and four longer (3.38 Å) Sr–Cu bond lengths. There are four shorter (3.53 Å) and four longer (3.72 Å) Sr–Sn bond lengths. Cu is bonded in a 9-coordinate geometry to three equivalent Sr, two equivalent Cu, and four equivalent Sn atoms. Both Cu–Cu bond lengths are 2.59 Å. There are a spread of Cu–Sn bond distances ranging from 2.64–2.70 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Cu, and one Sn atom. The Sn–Sn bond length is 3.15 Å.

36 MATERIALS SCIENCE↗