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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2Ni2I by Materials Project

La2Ni2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six equivalent Ni and three equivalent I atoms. There are three shorter (2.98 Å) and three longer (3.02 Å) La–Ni bond lengths. All La–I bond lengths are 3.48 Å. Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.37 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Ni2I by Materials Project

La2Ni2I crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six Ni and three equivalent I atoms. All La–Ni bond lengths are 3.05 Å. All La–I bond lengths are 3.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.40 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗