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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaBiAu2 by Materials Project

LaAu2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.20 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.20 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaBi2Au by Materials Project

LaAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded to four equivalent Au and eight Bi atoms to form a mixture of corner, edge, and face-sharing LaBi8Au4 cuboctahedra. All La–Au bond lengths are 3.35 Å. There are four shorter (3.38 Å) and four longer (3.60 Å) La–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Bi4Au3 by Materials Project

La3Au3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Au and eight equivalent Bi atoms. All La–Au bond lengths are 3.20 Å. There are four shorter (3.57 Å) and four longer (3.66 Å) La–Bi bond lengths. Au is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 2.94 Å. Bi is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Au atoms.

36 MATERIALS SCIENCE↗