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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeInIr by Materials Project

CeIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.04 Å) and one longer (3.12 Å) Ce–Ir bond lengths. There are two shorter (3.24 Å) and four longer (3.38 Å) Ce–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ir–In bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Ir–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Ce and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn5Ir by Materials Project

CeIrIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve In atoms to form CeIn12 cuboctahedra that share corners with four equivalent CeIn12 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with four equivalent InCe4In8 cuboctahedra. There are eight shorter (3.29 Å) and four longer (3.34 Å) Ce–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ce, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.29 Å. In the second In site, In is bonded to four equivalent Ce and eight equivalent In atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with four equivalent InCe4In8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn2Ir by Materials Project

CeIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.09 Å) Ce–Ir bond lengths. There are a spread of Ce–In bond distances ranging from 3.34–3.48 Å. Ir is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ir–In bond lengths are 2.84 Å. In is bonded in a 3-coordinate geometry to five equivalent Ce and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗