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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2MgCu2 by Materials Project

La2Cu2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent La and four equivalent Cu atoms to form a mixture of distorted corner and face-sharing MgLa8Cu4 cuboctahedra. All Mg–La bond lengths are 3.53 Å. All Mg–Cu bond lengths are 3.17 Å. La is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Cu atoms. There are two shorter (3.04 Å) and four longer (3.07 Å) La–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent La, and one Cu atom. The Cu–Cu bond length is 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMgCu2 by Materials Project

LaCu2Mg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a distorted hexagonal planar geometry to six equivalent Cu atoms. All Mg–Cu bond lengths are 2.76 Å. La is bonded in a 8-coordinate geometry to eight equivalent Cu atoms. There are two shorter (2.92 Å) and six longer (3.10 Å) La–Cu bond lengths. Cu is bonded in a 7-coordinate geometry to three equivalent Mg and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2Cu9 by Materials Project

LaCu9Mg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.87–2.97 Å. La is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.93 Å) and twelve longer (3.28 Å) La–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuLa2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuLa2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. There are six shorter (2.55 Å) and three longer (2.93 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent La, and seven Cu atoms to form CuLa2Mg3Cu7 cuboctahedra that share corners with seventeen CuLa2Mg3Cu7 cuboctahedra, edges with eight equivalent CuLa2Mg3Cu7 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.56 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg4Cu by Materials Project

LaCuMg4 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent La and two equivalent Cu atoms. There are two shorter (3.51 Å) and two longer (3.57 Å) Mg–La bond lengths. Both Mg–Cu bond lengths are 2.88 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Cu atoms. Both Mg–La bond lengths are 3.37 Å. Both Mg–Cu bond lengths are 2.84 Å. In the third Mg site, Mg is bonded in a single-bond geometry to three equivalent La and one Cu atom. There are one shorter (3.51 Å) and two longer (3.68 Å) Mg–La bond lengths. The Mg–Cu bond length is 2.61 Å. La is bonded in a 2-coordinate geometry to thirteen Mg and two equivalent Cu atoms. Both La–Cu bond lengths are 3.13 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Cu site, Cu is bonded in a distorted q6 geometry to six equivalent Mg and three equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMgCu by Materials Project

LaCuMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent La and four Cu atoms. There are two shorter (3.39 Å) and four longer (3.46 Å) Mg–La bond lengths. There are two shorter (2.78 Å) and two longer (3.00 Å) Mg–Cu bond lengths. La is bonded in a 5-coordinate geometry to six equivalent Mg and five Cu atoms. There are four shorter (3.12 Å) and one longer (3.18 Å) La–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent La atoms.

36 MATERIALS SCIENCE↗