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DOE OSTI2020

Materials Data on NdSnIr by Materials Project

NdIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.07 Å) and four longer (3.09 Å) Nd–Ir bond lengths. There are two shorter (3.30 Å) and four longer (3.40 Å) Nd–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.82 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.86 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Nd and four Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nd3Sn13Ir4 by Materials Project

Nd3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Nd–Ir bond lengths are 3.47 Å. There are eight shorter (3.45 Å) and four longer (3.46 Å) Nd–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Nd, 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↗