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DOE OSTI2020

Materials Data on Sr3(SnIr)4 by Materials Project

Sr3(IrSn)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Ir and four equivalent Sn atoms. All Sr–Ir bond lengths are 3.39 Å. All Sr–Sn bond lengths are 3.36 Å. Ir is bonded in a 4-coordinate geometry to three equivalent Sr, three equivalent Ir, and four equivalent Sn atoms. All Ir–Ir bond lengths are 2.88 Å. There are one shorter (2.58 Å) and three longer (2.72 Å) Ir–Sn bond lengths. Sn is bonded in a 7-coordinate geometry to three equivalent Sr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sr3Sn13Ir4 by Materials Project

Sr3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Sr–Ir bond lengths are 3.52 Å. There are four shorter (3.50 Å) and eight longer (3.52 Å) Sr–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sr, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗