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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2Cu2I by Materials Project

La2Cu2I crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six Cu and three equivalent I atoms. All La–Cu bond lengths are 3.08 Å. All La–I bond lengths are 3.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.46 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Cu2I by Materials Project

La2Cu2I 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 Cu and three equivalent I atoms. There are three shorter (3.09 Å) and three longer (3.11 Å) La–Cu bond lengths. All La–I bond lengths are 3.52 Å. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.46 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗