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Materials Data on Sr11Al4Sn3 by Materials Project

Sr11Al4Sn3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to three equivalent Al and three equivalent Sn atoms. All Sr–Al bond lengths are 3.47 Å. All Sr–Sn bond lengths are 3.54 Å. In the second Sr site, Sr is bonded in a distorted square co-planar geometry to one Sr, two equivalent Al, and two equivalent Sn atoms. The Sr–Sr bond length is 4.13 Å. Both Sr–Al bond lengths are 3.46 Å. Both Sr–Sn bond lengths are 3.54 Å. In the third Sr site, Sr is bonded in a cuboctahedral geometry to twelve equivalent Sr atoms. In the fourth Sr site, Sr is bonded in a distorted octahedral geometry to six equivalent Sn atoms. All Sr–Sn bond lengths are 3.79 Å. Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. All Al–Al bond lengths are 2.73 Å. Sn is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr3(AlSn)2 by Materials Project

Sr3(AlSn)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Sn atoms. Both Sr–Al bond lengths are 3.45 Å. There are four shorter (3.46 Å) and one longer (3.53 Å) Sr–Sn bond lengths. In the second Sr site, Sr is bonded to eight equivalent Al and four equivalent Sn atoms to form a mixture of edge and face-sharing SrAl8Sn4 cuboctahedra. All Sr–Al bond lengths are 3.59 Å. All Sr–Sn bond lengths are 3.78 Å. Al is bonded in a 2-coordinate geometry to six Sr, one Al, and two equivalent Sn atoms. The Al–Al bond length is 2.54 Å. Both Al–Sn bond lengths are 2.75 Å. Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Al atoms.

36 MATERIALS SCIENCE↗