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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CePIr by Materials Project

CeIrP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Ir and six equivalent P atoms to form a mixture of edge and face-sharing CeP6Ir6 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.13 Å) Ce–Ir bond lengths. There are four shorter (3.08 Å) and two longer (3.17 Å) Ce–P bond lengths. Ir is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent P atoms. There are two shorter (2.36 Å) and one longer (2.38 Å) Ir–P bond lengths. P is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(PIr)2 by Materials Project

CeIr2P2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Ir and eight P atoms. There are four shorter (3.19 Å) and four longer (3.23 Å) Ce–Ir bond lengths. There are four shorter (3.12 Å) and four longer (3.15 Å) Ce–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ce and four equivalent P atoms to form a mixture of distorted edge and face-sharing IrCe4P4 cuboctahedra. All Ir–P bond lengths are 2.48 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Ce and five P atoms. There are four shorter (2.35 Å) and one longer (2.36 Å) Ir–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Ce and five Ir atoms.

36 MATERIALS SCIENCE↗